CID 349733

(s)-2-amino-2-phenylpropan-1-ol hydrochloride

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(CO)(C1=CC=CC=C1)N
InChI
InChI=1S/C9H13NO/c1-9(10,7-11)8-5-3-2-4-6-8/h2-6,11H,7,10H2,1H3
InChIKey
WAQCLDRCXNFRBI-UHFFFAOYSA-N
Compound name
2-amino-2-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
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 132.3
[M+Na]+ 174.08894 138.9
[M-H]- 150.09244 134.2
[M+NH4]+ 169.13354 152.3
[M+K]+ 190.06288 136.6
[M+H-H2O]+ 134.09698 127.2
[M+HCOO]- 196.09792 154.4
[M+CH3COO]- 210.11357 175.2
[M+Na-2H]- 172.07439 139.9
[M]+ 151.09917 129.5
[M]- 151.10027 129.5
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