CID 91799283

7605-52-9

Structural Information

Molecular Formula
C9H16O2
SMILES
C[C@H]1CCC[C@H](C1)C(=O)OC
InChI
InChI=1S/C9H16O2/c1-7-4-3-5-8(6-7)9(10)11-2/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKey
AWZWUAFNPBYDLB-JGVFFNPUSA-N
Compound name
cis-methyl (1R,3S)-3-methylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

134
Patents

156.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 134.3
[M+Na]+ 179.104258 139.6
[M-H]- 155.107764 137.3
[M+NH4]+ 174.148863 155.3
[M+K]+ 195.078198 139.4
[M+H-H2O]+ 139.112300 129.0
[M+HCOO]- 201.113241 154.2
[M+CH3COO]- 215.128891 176.9
[M+Na-2H]- 177.089706 137.7
[M]+ 156.11449142 131.8
[M]- 156.11558858 131.8
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