CID 14761778

2-propylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CCCC1CC1C(=O)O
InChI
InChI=1S/C7H12O2/c1-2-3-5-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)
InChIKey
VGXKFXUFNJJDGP-UHFFFAOYSA-N
Compound name
2-propylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 126.4
[M+Na]+ 151.07294 138.0
[M+NH4]+ 146.11754 134.9
[M+K]+ 167.04688 134.8
[M-H]- 127.07644 133.4
[M+Na-2H]- 149.05839 133.1
[M]+ 128.08317 130.9
[M]- 128.08427 130.9
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