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

72
Patents

112.05243 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 120.8
[M+Na]+ 135.04165 129.8
[M-H]- 111.04515 124.5
[M+NH4]+ 130.08625 138.0
[M+K]+ 151.01559 127.8
[M+H-H2O]+ 95.049690 115.8
[M+HCOO]- 157.05063 142.5
[M+CH3COO]- 171.06628 170.0
[M+Na-2H]- 133.02710 125.7
[M]+ 112.05188 121.7
[M]- 112.05298 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