CID 165883667

1-(hydroxymethyl)bicyclo[2.1.1]hexane-2-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1C2CC(C2)(C1C(=O)O)CO
InChI
InChI=1S/C8H12O3/c9-4-8-2-5(3-8)1-6(8)7(10)11/h5-6,9H,1-4H2,(H,10,11)
InChIKey
SYZBYXJHKCFYNX-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)bicyclo[2.1.1]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 141.7
[M+Na]+ 179.06786 147.4
[M-H]- 155.07136 140.6
[M+NH4]+ 174.11246 163.7
[M+K]+ 195.04180 148.1
[M+H-H2O]+ 139.07590 136.2
[M+HCOO]- 201.07684 156.9
[M+CH3COO]- 215.09249 177.2
[M+Na-2H]- 177.05331 147.4
[M]+ 156.07809 153.1
[M]- 156.07919 153.1
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

No patent data available for this compound.