CID 485407

N-methyl-4-methoxybenzylamine

Structural Information

Molecular Formula
C9H13NO
SMILES
CNCC1=CC=C(C=C1)OC
InChI
InChI=1S/C9H13NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3
InChIKey
AIJFPNKGGAPZFJ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1580
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 130.7
[M+Na]+ 174.088938 138.2
[M-H]- 150.092444 134.6
[M+NH4]+ 169.133543 151.9
[M+K]+ 190.062878 136.8
[M+H-H2O]+ 134.096980 124.9
[M+HCOO]- 196.097921 156.6
[M+CH3COO]- 210.113571 179.3
[M+Na-2H]- 172.074386 138.6
[M]+ 151.09917142 131.7
[M]- 151.10026858 131.7
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