CID 13203125

3-(1-methylcyclopropyl)propanoic acid

Structural Information

Molecular Formula
C7H12O2
SMILES
CC1(CC1)CCC(=O)O
InChI
InChI=1S/C7H12O2/c1-7(4-5-7)3-2-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKey
YCVOGPHTDVZENI-UHFFFAOYSA-N
Compound name
3-(1-methylcyclopropyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

128.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 127.1
[M+Na]+ 151.07294 136.2
[M-H]- 127.07644 130.8
[M+NH4]+ 146.11754 145.6
[M+K]+ 167.04688 135.1
[M+H-H2O]+ 111.08098 123.0
[M+HCOO]- 173.08192 148.8
[M+CH3COO]- 187.09757 173.2
[M+Na-2H]- 149.05839 133.7
[M]+ 128.08317 130.1
[M]- 128.08427 130.1
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