CID 62448597

1250789-15-1

Structural Information

Molecular Formula
C13H22N2O
SMILES
CNCC1=CC=C(C=C1)CN(C)CCOC
InChI
InChI=1S/C13H22N2O/c1-14-10-12-4-6-13(7-5-12)11-15(2)8-9-16-3/h4-7,14H,8-11H2,1-3H3
InChIKey
PIWZWKSYSQSOIE-UHFFFAOYSA-N
Compound name
2-methoxy-N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

222.17322 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 153.6
[M+Na]+ 245.16244 158.5
[M-H]- 221.16594 158.0
[M+NH4]+ 240.20704 172.1
[M+K]+ 261.13638 157.5
[M+H-H2O]+ 205.17048 146.1
[M+HCOO]- 267.17142 179.5
[M+CH3COO]- 281.18707 199.8
[M+Na-2H]- 243.14789 158.7
[M]+ 222.17267 156.5
[M]- 222.17377 156.5
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

patents stripe