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]+ 129.090996 126.0
[M+Na]+ 151.072938 134.2
[M-H]- 127.076444 129.4
[M+NH4]+ 146.117543 142.5
[M+K]+ 167.046878 132.6
[M+H-H2O]+ 111.080980 120.7
[M+HCOO]- 173.081921 147.1
[M+CH3COO]- 187.097571 174.4
[M+Na-2H]- 149.058386 130.4
[M]+ 128.08317142 128.0
[M]- 128.08426858 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