CID 201828

Benzhydrol, alpha-(aminomethyl)-, hydrochloride

Structural Information

Molecular Formula
C14H15NO
SMILES
C1=CC=C(C=C1)C(CN)(C2=CC=CC=C2)O
InChI
InChI=1S/C14H15NO/c15-11-14(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11,15H2
InChIKey
QFWZRNZLPMDFNA-UHFFFAOYSA-N
Compound name
2-amino-1,1-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

90
Patents

213.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.12265 147.7
[M+Na]+ 236.10459 153.5
[M-H]- 212.10809 152.3
[M+NH4]+ 231.14919 164.7
[M+K]+ 252.07853 149.2
[M+H-H2O]+ 196.11263 140.9
[M+HCOO]- 258.11357 169.6
[M+CH3COO]- 272.12922 186.1
[M+Na-2H]- 234.09004 155.4
[M]+ 213.11482 144.2
[M]- 213.11592 144.2
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