CID 533868

2-(benzyloxy)ethanamine

Structural Information

Molecular Formula
C9H13NO
SMILES
C1=CC=C(C=C1)COCCN
InChI
InChI=1S/C9H13NO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8,10H2
InChIKey
XJGVVOAKITWCAB-UHFFFAOYSA-N
Compound name
2-phenylmethoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1140
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 131.5
[M+Na]+ 174.08894 138.0
[M-H]- 150.09244 134.4
[M+NH4]+ 169.13354 152.1
[M+K]+ 190.06288 136.2
[M+H-H2O]+ 134.09698 125.4
[M+HCOO]- 196.09792 156.7
[M+CH3COO]- 210.11357 177.5
[M+Na-2H]- 172.07439 139.0
[M]+ 151.09917 131.1
[M]- 151.10027 131.1
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