CID 4117

Methoxyphenamine

Structural Information

Molecular Formula
C11H17NO
SMILES
CC(CC1=CC=CC=C1OC)NC
InChI
InChI=1S/C11H17NO/c1-9(12-2)8-10-6-4-5-7-11(10)13-3/h4-7,9,12H,8H2,1-3H3
InChIKey
OEHAYUOVELTAPG-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

72
References

4091
Patents

179.13101 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 140.6
[M+Na]+ 202.120228 147.0
[M-H]- 178.123734 144.2
[M+NH4]+ 197.164833 160.7
[M+K]+ 218.094168 145.6
[M+H-H2O]+ 162.128270 134.5
[M+HCOO]- 224.129211 164.8
[M+CH3COO]- 238.144861 186.2
[M+Na-2H]- 200.105676 146.1
[M]+ 179.13046142 141.7
[M]- 179.13155858 141.7
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