CID 11286566

3-amino-2-phenylpropan-1-ol

Structural Information

Molecular Formula
C9H13NO
SMILES
C1=CC=C(C=C1)C(CN)CO
InChI
InChI=1S/C9H13NO/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2
InChIKey
DIVZNCUPEGZSEI-UHFFFAOYSA-N
Compound name
3-amino-2-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

129
Patents

151.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.5
[M+Na]+ 174.08894 143.6
[M+NH4]+ 169.13354 141.0
[M+K]+ 190.06288 137.7
[M-H]- 150.09244 134.8
[M+Na-2H]- 172.07439 139.1
[M]+ 151.09917 134.5
[M]- 151.10027 134.5
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