CID 5289149

(2r,3s)-3-amino-1-chloro-4-phenylbutan-2-ol

Structural Information

Molecular Formula
C10H14ClNO
SMILES
C1=CC=C(C=C1)C[C@@H]([C@H](CCl)O)N
InChI
InChI=1S/C10H14ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2/t9-,10-/m0/s1
InChIKey
YXWOYBQZWSLSMU-UWVGGRQHSA-N
Compound name
(2R,3S)-3-amino-1-chloro-4-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

199.07639 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08367 143.6
[M+Na]+ 222.06561 149.6
[M-H]- 198.06911 144.9
[M+NH4]+ 217.11021 162.3
[M+K]+ 238.03955 145.5
[M+H-H2O]+ 182.07365 138.7
[M+HCOO]- 244.07459 160.5
[M+CH3COO]- 258.09024 183.5
[M+Na-2H]- 220.05106 147.0
[M]+ 199.07584 142.5
[M]- 199.07694 142.5
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