CID 41106

(+-)-alpha-(1-(benzylamino)ethyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C16H19NO
SMILES
CC(C(C1=CC=CC=C1)O)NCC2=CC=CC=C2
InChI
InChI=1S/C16H19NO/c1-13(16(18)15-10-6-3-7-11-15)17-12-14-8-4-2-5-9-14/h2-11,13,16-18H,12H2,1H3
InChIKey
BBPJQQNUQARKLX-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

241.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 157.1
[M+Na]+ 264.13589 160.9
[M-H]- 240.13939 161.7
[M+NH4]+ 259.18049 172.9
[M+K]+ 280.10983 157.1
[M+H-H2O]+ 224.14393 149.4
[M+HCOO]- 286.14487 178.5
[M+CH3COO]- 300.16052 194.1
[M+Na-2H]- 262.12134 161.5
[M]+ 241.14612 154.4
[M]- 241.14722 154.4
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