CID 121012422

176848-24-1

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(CN)(COCC1=CC=CC=C1)OC
InChI
InChI=1S/C12H19NO2/c1-12(9-13,14-2)10-15-8-11-6-4-3-5-7-11/h3-7H,8-10,13H2,1-2H3
InChIKey
HELYWKYLNYYXDZ-UHFFFAOYSA-N
Compound name
2-methoxy-2-methyl-3-phenylmethoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 148.9
[M+Na]+ 232.13081 154.5
[M-H]- 208.13431 151.6
[M+NH4]+ 227.17541 167.2
[M+K]+ 248.10475 152.9
[M+H-H2O]+ 192.13885 142.6
[M+HCOO]- 254.13979 171.8
[M+CH3COO]- 268.15544 189.0
[M+Na-2H]- 230.11626 155.4
[M]+ 209.14104 150.5
[M]- 209.14214 150.5
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.