CID 91337

Cyclohexanemethanol, alpha,3,3-trimethyl-, formate

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C1CCCC(C1)(C)C)OC=O
InChI
InChI=1S/C11H20O2/c1-9(13-8-12)10-5-4-6-11(2,3)7-10/h8-10H,4-7H2,1-3H3
InChIKey
NFASPEPDTMCBEN-UHFFFAOYSA-N
Compound name
1-(3,3-dimethylcyclohexyl)ethyl formate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

746
Patents

184.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 142.4
[M+Na]+ 207.13555 147.7
[M-H]- 183.13905 145.4
[M+NH4]+ 202.18015 164.3
[M+K]+ 223.10949 147.3
[M+H-H2O]+ 167.14359 137.7
[M+HCOO]- 229.14453 161.6
[M+CH3COO]- 243.16018 183.2
[M+Na-2H]- 205.12100 145.9
[M]+ 184.14578 141.0
[M]- 184.14688 141.0
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