CID 21505102

2-cyclohexyl-2-methoxyacetic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
COC(C1CCCCC1)C(=O)O
InChI
InChI=1S/C9H16O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h7-8H,2-6H2,1H3,(H,10,11)
InChIKey
GXQRZUWJYFTHSP-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

172.10994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 138.8
[M+Na]+ 195.099158 142.3
[M-H]- 171.102664 139.9
[M+NH4]+ 190.143763 157.8
[M+K]+ 211.073098 142.1
[M+H-H2O]+ 155.107200 133.3
[M+HCOO]- 217.108141 156.3
[M+CH3COO]- 231.123791 176.7
[M+Na-2H]- 193.084606 141.0
[M]+ 172.10939142 134.8
[M]- 172.11048858 134.8
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