CID 3084808

1-butanol, 2-amino-, hydrochloride, (2r)-

Structural Information

Molecular Formula
C4H10ClNO
SMILES
CC[C@@H](CO)NCl
InChI
InChI=1S/C4H10ClNO/c1-2-4(3-7)6-5/h4,6-7H,2-3H2,1H3/t4-/m0/s1
InChIKey
JZQISYXNGNOTSP-BYPYZUCNSA-N
Compound name
(2S)-2-(chloroamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.04509 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05237 121.7
[M+Na]+ 146.03431 131.7
[M+NH4]+ 141.07891 130.0
[M+K]+ 162.00825 126.5
[M-H]- 122.03781 121.4
[M+Na-2H]- 144.01976 125.8
[M]+ 123.04454 123.0
[M]- 123.04564 123.0
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.