CID 3064708

105338-64-5

Structural Information

Molecular Formula
C12H19NO
SMILES
CC1=C(C(=CC=C1)CC(C)NC)OC
InChI
InChI=1S/C12H19NO/c1-9-6-5-7-11(12(9)14-4)8-10(2)13-3/h5-7,10,13H,8H2,1-4H3
InChIKey
BTKHSRPSCCDNEK-UHFFFAOYSA-N
Compound name
1-(2-methoxy-3-methylphenyl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 144.8
[M+Na]+ 216.13589 151.6
[M-H]- 192.13939 148.6
[M+NH4]+ 211.18049 164.6
[M+K]+ 232.10983 150.0
[M+H-H2O]+ 176.14393 138.7
[M+HCOO]- 238.14487 168.6
[M+CH3COO]- 252.16052 190.4
[M+Na-2H]- 214.12134 149.0
[M]+ 193.14612 146.6
[M]- 193.14722 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.