CID 20550473

3-cyclopropylbutanoic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(CC(=O)O)C1CC1
InChI
InChI=1S/C7H12O2/c1-5(4-7(8)9)6-2-3-6/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
UGFAKPKHHOAZHY-UHFFFAOYSA-N
Compound name
3-cyclopropylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

128.08372 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe