CID 2733160

1-hydroxy-1-cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C4H6O3
SMILES
C1CC1(C(=O)O)O
InChI
InChI=1S/C4H6O3/c5-3(6)4(7)1-2-4/h7H,1-2H2,(H,5,6)
InChIKey
GQXURJDNDYACGE-UHFFFAOYSA-N
Compound name
1-hydroxycyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2668
Patents

102.03169 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03897 117.5
[M+Na]+ 125.02091 127.4
[M-H]- 101.02441 120.3
[M+NH4]+ 120.06551 136.2
[M+K]+ 140.99485 126.3
[M+H-H2O]+ 85.028950 114.1
[M+HCOO]- 147.02989 138.8
[M+CH3COO]- 161.04554 163.9
[M+Na-2H]- 123.00636 125.1
[M]+ 102.03114 119.1
[M]- 102.03224 119.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe