CID 163620

Carbonic acid, ethyl 2,3,6-trimethylcyclohexyl ester

Structural Information

Molecular Formula
C12H22O3
SMILES
CCOC(=O)OC1C(CCC(C1C)C)C
InChI
InChI=1S/C12H22O3/c1-5-14-12(13)15-11-9(3)7-6-8(2)10(11)4/h8-11H,5-7H2,1-4H3
InChIKey
LMEAWIUATHINAJ-UHFFFAOYSA-N
Compound name
ethyl (2,3,6-trimethylcyclohexyl) carbonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

103
Patents

214.15689 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.16417 149.5
[M+Na]+ 237.14611 155.5
[M-H]- 213.14961 152.7
[M+NH4]+ 232.19071 168.8
[M+K]+ 253.12005 155.1
[M+H-H2O]+ 197.15415 144.1
[M+HCOO]- 259.15509 168.6
[M+CH3COO]- 273.17074 189.7
[M+Na-2H]- 235.13156 150.0
[M]+ 214.15634 150.3
[M]- 214.15744 150.3
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