CID 524259

62034-03-1

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(=O)OC1CC2CC1(CC2(C)C)C
InChI
InChI=1S/C12H20O2/c1-8(13)14-10-5-9-6-12(10,4)7-11(9,2)3/h9-10H,5-7H2,1-4H3
InChIKey
LHDGZUJXYWVZNA-UHFFFAOYSA-N
Compound name
(1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

196.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 146.3
[M+Na]+ 219.135548 154.8
[M-H]- 195.139054 149.6
[M+NH4]+ 214.180153 175.2
[M+K]+ 235.109488 152.9
[M+H-H2O]+ 179.143590 143.9
[M+HCOO]- 241.144531 166.1
[M+CH3COO]- 255.160181 185.5
[M+Na-2H]- 217.120996 149.3
[M]+ 196.14578142 148.0
[M]- 196.14687858 148.0
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