CID 12352922

1-amino-1-phenylpropan-2-ol hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

151.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 133.3
[M+Na]+ 174.08894 138.9
[M-H]- 150.09244 135.0
[M+NH4]+ 169.13354 153.0
[M+K]+ 190.06288 137.1
[M+H-H2O]+ 134.09698 127.7
[M+HCOO]- 196.09792 155.0
[M+CH3COO]- 210.11357 176.6
[M+Na-2H]- 172.07439 137.7
[M]+ 151.09917 129.7
[M]- 151.10027 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe