CID 44152518

85392-38-7

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(=O)OCC1C2CCC(C2)C1(C)C
InChI
InChI=1S/C12H20O2/c1-8(13)14-7-11-9-4-5-10(6-9)12(11,2)3/h9-11H,4-7H2,1-3H3
InChIKey
GDGJJTDGFXXYEW-UHFFFAOYSA-N
Compound name
(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 148.2
[M+Na]+ 219.135548 155.6
[M-H]- 195.139054 151.1
[M+NH4]+ 214.180153 175.0
[M+K]+ 235.109488 153.8
[M+H-H2O]+ 179.143590 144.9
[M+HCOO]- 241.144531 168.0
[M+CH3COO]- 255.160181 185.7
[M+Na-2H]- 217.120996 149.8
[M]+ 196.14578142 149.4
[M]- 196.14687858 149.4
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

No patent data available for this compound.