CID 14319625

123056-60-0

Structural Information

Molecular Formula
C6H8O4
SMILES
CC(=O)OC1(CC1)C(=O)O
InChI
InChI=1S/C6H8O4/c1-4(7)10-6(2-3-6)5(8)9/h2-3H2,1H3,(H,8,9)
InChIKey
UFGHKCAYOUCBDY-UHFFFAOYSA-N
Compound name
1-acetyloxycyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

144.04225 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 128.5
[M+Na]+ 167.03147 138.1
[M-H]- 143.03497 132.4
[M+NH4]+ 162.07607 146.2
[M+K]+ 183.00541 137.6
[M+H-H2O]+ 127.03951 124.6
[M+HCOO]- 189.04045 150.1
[M+CH3COO]- 203.05610 173.5
[M+Na-2H]- 165.01692 134.4
[M]+ 144.04170 132.7
[M]- 144.04280 132.7
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