CID 69017

Cyclopropane-1,1-dicarboxylic acid

Structural Information

Molecular Formula
C5H6O4
SMILES
C1CC1(C(=O)O)C(=O)O
InChI
InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKey
FDKLLWKMYAMLIF-UHFFFAOYSA-N
Compound name
cyclopropane-1,1-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

4022
Patents

130.02661 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03389 123.5
[M+Na]+ 153.01583 133.0
[M-H]- 129.01933 126.2
[M+NH4]+ 148.06043 141.0
[M+K]+ 168.98977 131.8
[M+H-H2O]+ 113.02387 120.0
[M+HCOO]- 175.02481 143.9
[M+CH3COO]- 189.04046 168.9
[M+Na-2H]- 151.00128 129.5
[M]+ 130.02606 125.7
[M]- 130.02716 125.7
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