CID 5152225

41789-95-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

499
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 131.2
[M+Na]+ 174.08894 143.9
[M+NH4]+ 169.13354 140.4
[M+K]+ 190.06288 136.9
[M-H]- 150.09244 134.5
[M+Na-2H]- 172.07439 139.1
[M]+ 151.09917 133.9
[M]- 151.10027 133.9
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