CID 13707487

1-(propan-2-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(C)C1(CC1)C(=O)O
InChI
InChI=1S/C7H12O2/c1-5(2)7(3-4-7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
TUJGKVZBNOHEQB-UHFFFAOYSA-N
Compound name
1-propan-2-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

128.08372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 129.4
[M+Na]+ 151.07294 140.5
[M+NH4]+ 146.11754 139.1
[M+K]+ 167.04688 136.2
[M-H]- 127.07644 136.3
[M+Na-2H]- 149.05839 137.3
[M]+ 128.08317 134.0
[M]- 128.08427 134.0
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