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 123.6
[M+Na]+ 146.03431 130.9
[M-H]- 122.03781 122.6
[M+NH4]+ 141.07891 145.8
[M+K]+ 162.00825 128.9
[M+H-H2O]+ 106.04235 120.3
[M+HCOO]- 168.04329 142.3
[M+CH3COO]- 182.05894 169.9
[M+Na-2H]- 144.01976 129.7
[M]+ 123.04454 123.9
[M]- 123.04564 123.9
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.