CID 18418009

2-cyclopropylbutanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
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 126.0
[M+Na]+ 151.07294 134.2
[M-H]- 127.07644 129.4
[M+NH4]+ 146.11754 142.5
[M+K]+ 167.04688 132.6
[M+H-H2O]+ 111.08098 120.7
[M+HCOO]- 173.08192 147.1
[M+CH3COO]- 187.09757 174.4
[M+Na-2H]- 149.05839 130.4
[M]+ 128.08317 128.0
[M]- 128.08427 128.0
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