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]+ 145.085916 128.7
[M+Na]+ 167.067858 136.5
[M-H]- 143.071364 130.7
[M+NH4]+ 162.112463 143.9
[M+K]+ 183.041798 134.2
[M+H-H2O]+ 127.075900 123.5
[M+HCOO]- 189.076841 148.6
[M+CH3COO]- 203.092491 173.9
[M+Na-2H]- 165.053306 132.6
[M]+ 144.07809142 130.4
[M]- 144.07918858 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.