CID 131752912

(3,6-diacetyloxy-4,10,11,11-tetramethyl-9-tricyclo[5.3.1.01,5]undec-4-enyl) acetate

Structural Information

Molecular Formula
C21H30O6
SMILES
CC1C(CC2C(C3=C(C(CC13C2(C)C)OC(=O)C)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C21H30O6/c1-10-17(26-13(4)23)9-21-11(2)16(25-12(3)22)8-15(20(21,6)7)19(18(10)21)27-14(5)24/h11,15-17,19H,8-9H2,1-7H3
InChIKey
LCYMMMXHRHJXJB-UHFFFAOYSA-N
Compound name
(3,6-diacetyloxy-4,10,11,11-tetramethyl-9-tricyclo[5.3.1.01,5]undec-4-enyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20422 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.211496 186.4
[M+Na]+ 401.193438 193.8
[M-H]- 377.196944 190.8
[M+NH4]+ 396.238043 208.9
[M+K]+ 417.167378 192.2
[M+H-H2O]+ 361.201480 184.5
[M+HCOO]- 423.202421 200.5
[M+CH3COO]- 437.218071 222.1
[M+Na-2H]- 399.178886 183.2
[M]+ 378.20367142 193.3
[M]- 378.20476858 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.