CID 11344198

(2s)-2-amino-4-phenylbutan-1-ol hydrochloride

Structural Information

Molecular Formula
C10H15NO
SMILES
C1=CC=C(C=C1)CC[C@@H](CO)N
InChI
InChI=1S/C10H15NO/c11-10(8-12)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/t10-/m0/s1
InChIKey
ZJAOVQMCZKLAKJ-JTQLQIEISA-N
Compound name
(2S)-2-amino-4-phenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

45
Patents

165.11537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 137.4
[M+Na]+ 188.10459 142.8
[M-H]- 164.10809 138.8
[M+NH4]+ 183.14919 156.6
[M+K]+ 204.07853 140.2
[M+H-H2O]+ 148.11263 131.4
[M+HCOO]- 210.11357 159.7
[M+CH3COO]- 224.12922 178.8
[M+Na-2H]- 186.09004 142.5
[M]+ 165.11482 134.7
[M]- 165.11592 134.7
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