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]+ 127.07536 126.9
[M+Na]+ 149.05730 134.5
[M+NH4]+ 144.10190 133.6
[M+K]+ 165.03124 131.5
[M-H]- 125.06080 131.5
[M+Na-2H]- 147.04275 132.0
[M]+ 126.06753 129.3
[M]- 126.06863 129.3
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.