CID 14200856

56172-71-5

Structural Information

Molecular Formula
C6H8O3
SMILES
CC(=O)C1(CC1)C(=O)O
InChI
InChI=1S/C6H8O3/c1-4(7)6(2-3-6)5(8)9/h2-3H2,1H3,(H,8,9)
InChIKey
JIOYLBIVCRZUEQ-UHFFFAOYSA-N
Compound name
1-acetylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

128.04735 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 124.8
[M+Na]+ 151.036568 134.3
[M-H]- 127.040074 128.7
[M+NH4]+ 146.081173 143.1
[M+K]+ 167.010508 133.5
[M+H-H2O]+ 111.044610 121.0
[M+HCOO]- 173.045551 146.2
[M+CH3COO]- 187.061201 172.2
[M+Na-2H]- 149.022016 130.7
[M]+ 128.04680142 127.6
[M]- 128.04789858 127.6
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