CID 165619529

(3r)-4-cyclopropyl-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
C1CC1C[C@H](CC(=O)O)O
InChI
InChI=1S/C7H12O3/c8-6(4-7(9)10)3-5-1-2-5/h5-6,8H,1-4H2,(H,9,10)/t6-/m1/s1
InChIKey
NVKJBDLGBWNSDO-ZCFIWIBFSA-N
Compound name
(3R)-4-cyclopropyl-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 128.7
[M+Na]+ 167.06786 136.5
[M-H]- 143.07136 130.7
[M+NH4]+ 162.11246 143.9
[M+K]+ 183.04180 134.2
[M+H-H2O]+ 127.07590 123.5
[M+HCOO]- 189.07684 148.6
[M+CH3COO]- 203.09249 173.9
[M+Na-2H]- 165.05331 132.6
[M]+ 144.07809 130.4
[M]- 144.07919 130.4
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.