CID 20260989

3-cyclopropyl-2-methylpropanoic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(CC1CC1)C(=O)O
InChI
InChI=1S/C7H12O2/c1-5(7(8)9)4-6-2-3-6/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
RYNNQBQENNRWDW-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

128.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.6
[M+Na]+ 151.07294 138.4
[M+NH4]+ 146.11754 135.8
[M+K]+ 167.04688 135.7
[M-H]- 127.07644 134.3
[M+Na-2H]- 149.05839 134.0
[M]+ 128.08317 131.8
[M]- 128.08427 131.8
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