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

42
Patents

128.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 127.1
[M+Na]+ 151.072938 136.2
[M-H]- 127.076444 130.8
[M+NH4]+ 146.117543 145.6
[M+K]+ 167.046878 135.1
[M+H-H2O]+ 111.080980 123.0
[M+HCOO]- 173.081921 148.8
[M+CH3COO]- 187.097571 173.2
[M+Na-2H]- 149.058386 133.7
[M]+ 128.08317142 130.1
[M]- 128.08426858 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