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

180
Patents

128.04735 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 124.8
[M+Na]+ 151.03657 134.3
[M-H]- 127.04007 128.7
[M+NH4]+ 146.08117 143.1
[M+K]+ 167.01051 133.5
[M+H-H2O]+ 111.04461 121.0
[M+HCOO]- 173.04555 146.2
[M+CH3COO]- 187.06120 172.2
[M+Na-2H]- 149.02202 130.7
[M]+ 128.04680 127.6
[M]- 128.04790 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