CID 640993

L-valinol

Structural Information

Molecular Formula
C5H13NO
SMILES
CC(C)[C@@H](CO)N
InChI
InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
InChIKey
NWYYWIJOWOLJNR-RXMQYKEDSA-N
Compound name
(2S)-2-amino-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

6675
Patents

103.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.10700 122.0
[M+Na]+ 126.08894 130.4
[M+NH4]+ 121.13354 129.7
[M+K]+ 142.06288 126.8
[M-H]- 102.09244 121.2
[M+Na-2H]- 124.07439 124.8
[M]+ 103.09917 122.6
[M]- 103.10027 122.6
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