CID 81292

2-methoxybenzylamine

Structural Information

Molecular Formula
C8H11NO
SMILES
COC1=CC=CC=C1CN
InChI
InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3
InChIKey
PXJACNDVRNAFHD-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4796
Patents

137.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 126.6
[M+Na]+ 160.07328 134.5
[M-H]- 136.07678 130.1
[M+NH4]+ 155.11788 148.1
[M+K]+ 176.04722 133.0
[M+H-H2O]+ 120.08132 121.0
[M+HCOO]- 182.08226 152.2
[M+CH3COO]- 196.09791 175.5
[M+Na-2H]- 158.05873 134.0
[M]+ 137.08351 126.2
[M]- 137.08461 126.2
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