CID 4348

N-benzylethanolamine

Structural Information

Molecular Formula
C9H13NO
SMILES
C1=CC=C(C=C1)CNCCO
InChI
InChI=1S/C9H13NO/c11-7-6-10-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKey
XNIOWJUQPMKCIJ-UHFFFAOYSA-N
Compound name
2-(benzylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

6076
Patents

151.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.4
[M+Na]+ 174.08894 137.5
[M-H]- 150.09244 133.4
[M+NH4]+ 169.13354 151.6
[M+K]+ 190.06288 135.1
[M+H-H2O]+ 134.09698 125.6
[M+HCOO]- 196.09792 155.8
[M+CH3COO]- 210.11357 175.5
[M+Na-2H]- 172.07439 139.5
[M]+ 151.09917 130.1
[M]- 151.10027 130.1
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