CID 106939

67874-82-2

Structural Information

Molecular Formula
C16H24O2
SMILES
CC1(CC(C=C2C13CCC(C3)C2(C)C)OC=O)C
InChI
InChI=1S/C16H24O2/c1-14(2)9-12(18-10-17)7-13-15(3,4)11-5-6-16(13,14)8-11/h7,10-12H,5-6,8-9H2,1-4H3
InChIKey
WJZMQDGXHGRQSQ-UHFFFAOYSA-N
Compound name
(2,2,7,7-tetramethyl-4-tricyclo[6.2.1.01,6]undec-5-enyl) formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

248.17763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.184906 158.2
[M+Na]+ 271.166848 167.3
[M-H]- 247.170354 162.9
[M+NH4]+ 266.211453 187.6
[M+K]+ 287.140788 163.2
[M+H-H2O]+ 231.174890 154.7
[M+HCOO]- 293.175831 176.3
[M+CH3COO]- 307.191481 196.0
[M+Na-2H]- 269.152296 161.8
[M]+ 248.17708142 160.0
[M]- 248.17817858 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe