CID 522302

2-methoxy-n-methylbenzylamine

Structural Information

Molecular Formula
C9H13NO
SMILES
CNCC1=CC=CC=C1OC
InChI
InChI=1S/C9H13NO/c1-10-7-8-5-3-4-6-9(8)11-2/h3-6,10H,7H2,1-2H3
InChIKey
JCCQJCOMFAJJCQ-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

477
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 130.7
[M+Na]+ 174.08894 138.2
[M-H]- 150.09244 134.6
[M+NH4]+ 169.13354 151.9
[M+K]+ 190.06288 136.8
[M+H-H2O]+ 134.09698 124.9
[M+HCOO]- 196.09792 156.6
[M+CH3COO]- 210.11357 179.3
[M+Na-2H]- 172.07439 138.6
[M]+ 151.09917 131.7
[M]- 151.10027 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