CID 14644197

2-[(1r,2s)-2-hydroxycyclohexyl]acetic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
C1CC[C@@H]([C@H](C1)CC(=O)O)O
InChI
InChI=1S/C8H14O3/c9-7-4-2-1-3-6(7)5-8(10)11/h6-7,9H,1-5H2,(H,10,11)/t6-,7+/m1/s1
InChIKey
MRYQHECIEBLERJ-RQJHMYQMSA-N
Compound name
2-[(1R,2S)-2-hydroxycyclohexyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

158.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.1
[M+Na]+ 181.08352 138.9
[M-H]- 157.08702 134.3
[M+NH4]+ 176.12812 153.4
[M+K]+ 197.05746 137.5
[M+H-H2O]+ 141.09156 129.2
[M+HCOO]- 203.09250 151.5
[M+CH3COO]- 217.10815 171.4
[M+Na-2H]- 179.06897 136.9
[M]+ 158.09375 129.0
[M]- 158.09485 129.0
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