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

98
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 126.4
[M+Na]+ 151.07294 135.3
[M-H]- 127.07644 130.2
[M+NH4]+ 146.11754 144.9
[M+K]+ 167.04688 134.6
[M+H-H2O]+ 111.08098 122.6
[M+HCOO]- 173.08192 147.2
[M+CH3COO]- 187.09757 174.0
[M+Na-2H]- 149.05839 131.9
[M]+ 128.08317 128.8
[M]- 128.08427 128.8
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