CID 137935629

2253638-71-8

Structural Information

Molecular Formula
C7H10O2
SMILES
C[C@@H]1C[C@]2([C@@H]1C2)C(=O)O
InChI
InChI=1S/C7H10O2/c1-4-2-7(6(8)9)3-5(4)7/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5-,7+/m1/s1
InChIKey
CMCVVVMPJKCEPK-XAHCXIQSSA-N
Compound name
(1R,3R,4R)-3-methylbicyclo[2.1.0]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 125.9
[M+Na]+ 149.057298 135.1
[M-H]- 125.060804 130.8
[M+NH4]+ 144.101903 139.6
[M+K]+ 165.031238 136.2
[M+H-H2O]+ 109.065340 118.0
[M+HCOO]- 171.066281 145.4
[M+CH3COO]- 185.081931 177.5
[M+Na-2H]- 147.042746 132.8
[M]+ 126.06753142 137.1
[M]- 126.06862858 137.1
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.