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]+ 145.085916 130.0
[M+Na]+ 167.067858 138.7
[M-H]- 143.071364 132.3
[M+NH4]+ 162.112463 147.2
[M+K]+ 183.041798 137.0
[M+H-H2O]+ 127.075900 126.1
[M+HCOO]- 189.076841 150.5
[M+CH3COO]- 203.092491 172.6
[M+Na-2H]- 165.053306 136.2
[M]+ 144.07809142 132.7
[M]- 144.07918858 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.