CID 71683702

2-(benzylamino)-1-(3-methylphenyl)ethan-1-ol

Structural Information

Molecular Formula
C16H19NO
SMILES
CC1=CC(=CC=C1)C(CNCC2=CC=CC=C2)O
InChI
InChI=1S/C16H19NO/c1-13-6-5-9-15(10-13)16(18)12-17-11-14-7-3-2-4-8-14/h2-10,16-18H,11-12H2,1H3
InChIKey
CZGHSTOKSHJRHA-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-(3-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.153946 156.6
[M+Na]+ 264.135888 161.7
[M-H]- 240.139394 161.5
[M+NH4]+ 259.180493 172.8
[M+K]+ 280.109828 157.3
[M+H-H2O]+ 224.143930 149.0
[M+HCOO]- 286.144871 179.1
[M+CH3COO]- 300.160521 194.4
[M+Na-2H]- 262.121336 161.6
[M]+ 241.14612142 155.0
[M]- 241.14721858 155.0
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

No patent data available for this compound.