CID 6950705

24809-83-4

Structural Information

Molecular Formula
C5H10O3
SMILES
CCC[C@H](C(=O)O)O
InChI
InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
InChIKey
JRHWHSJDIILJAT-SCSAIBSYSA-N
Compound name
(2R)-2-hydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

27852
Patents

118.062996 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.070272 123.8
[M+Na]+ 141.052214 130.4
[M-H]- 117.055720 121.6
[M+NH4]+ 136.096819 144.9
[M+K]+ 157.026154 130.3
[M+H-H2O]+ 101.060256 119.8
[M+HCOO]- 163.061197 143.8
[M+CH3COO]- 177.076847 165.6
[M+Na-2H]- 139.037662 127.8
[M]+ 118.06244742 123.2
[M]- 118.06354458 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe