CID 75452

4-methoxybenzylamine

Structural Information

Molecular Formula
C8H11NO
SMILES
COC1=CC=C(C=C1)CN
InChI
InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
InChIKey
IDPURXSQCKYKIJ-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

22888
Patents

137.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 126.7
[M+Na]+ 160.07328 139.3
[M+NH4]+ 155.11788 136.0
[M+K]+ 176.04722 132.8
[M-H]- 136.07678 129.9
[M+Na-2H]- 158.05873 134.4
[M]+ 137.08351 129.3
[M]- 137.08461 129.3
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