CID 122164403

3-[1-(2-carboxyethyl)cyclopropyl]propanoic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
C1CC1(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C9H14O4/c10-7(11)1-3-9(5-6-9)4-2-8(12)13/h1-6H2,(H,10,11)(H,12,13)
InChIKey
YTNFZCRMQDLXSV-UHFFFAOYSA-N
Compound name
3-[1-(2-carboxyethyl)cyclopropyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0892 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 140.3
[M+Na]+ 209.07842 148.2
[M-H]- 185.08192 142.2
[M+NH4]+ 204.12302 155.6
[M+K]+ 225.05236 146.0
[M+H-H2O]+ 169.08646 136.2
[M+HCOO]- 231.08740 159.5
[M+CH3COO]- 245.10305 180.4
[M+Na-2H]- 207.06387 144.3
[M]+ 186.08865 143.9
[M]- 186.08975 143.9
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

No patent data available for this compound.