CID 13949633

3(s)-amino-4-phenyl-butan-2(s)-ol

Structural Information

Molecular Formula
C10H15NO
SMILES
C[C@@H]([C@H](CC1=CC=CC=C1)N)O
InChI
InChI=1S/C10H15NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,8,10,12H,7,11H2,1H3/t8-,10-/m0/s1
InChIKey
SMZUMFSKQVVOOV-WPRPVWTQSA-N
Compound name
(2S,3S)-3-amino-4-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

165.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 138.0
[M+Na]+ 188.10459 143.1
[M-H]- 164.10809 139.5
[M+NH4]+ 183.14919 157.1
[M+K]+ 204.07853 141.1
[M+H-H2O]+ 148.11263 132.1
[M+HCOO]- 210.11357 159.3
[M+CH3COO]- 224.12922 179.6
[M+Na-2H]- 186.09004 141.8
[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