CID 54075440

2-cyclopropylidenepropanoic acid

Structural Information

Molecular Formula
C6H8O2
SMILES
CC(=C1CC1)C(=O)O
InChI
InChI=1S/C6H8O2/c1-4(6(7)8)5-2-3-5/h2-3H2,1H3,(H,7,8)
InChIKey
MJIQLBQAVHNPLE-UHFFFAOYSA-N
Compound name
2-cyclopropylidenepropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

112.05243 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.059706 120.8
[M+Na]+ 135.041648 129.8
[M-H]- 111.045154 124.5
[M+NH4]+ 130.086253 138.0
[M+K]+ 151.015588 127.8
[M+H-H2O]+ 95.049690 115.8
[M+HCOO]- 157.050631 142.5
[M+CH3COO]- 171.066281 170.0
[M+Na-2H]- 133.027096 125.7
[M]+ 112.05188142 121.7
[M]- 112.05297858 121.7
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