CID 55301416

918523-04-3

Structural Information

Molecular Formula
C7H12O3
SMILES
C1CC1(CCCO)C(=O)O
InChI
InChI=1S/C7H12O3/c8-5-1-2-7(3-4-7)6(9)10/h8H,1-5H2,(H,9,10)
InChIKey
UUAYMNFJWCIILR-UHFFFAOYSA-N
Compound name
1-(3-hydroxypropyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 130.0
[M+Na]+ 167.06786 138.7
[M-H]- 143.07136 132.3
[M+NH4]+ 162.11246 147.2
[M+K]+ 183.04180 137.0
[M+H-H2O]+ 127.07590 126.1
[M+HCOO]- 189.07684 150.5
[M+CH3COO]- 203.09249 172.6
[M+Na-2H]- 165.05331 136.2
[M]+ 144.07809 132.7
[M]- 144.07919 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.