CID 43220287

[(3,4-dimethylphenyl)methyl](2-methoxyethyl)amine

Structural Information

Molecular Formula
C12H19NO
SMILES
CC1=C(C=C(C=C1)CNCCOC)C
InChI
InChI=1S/C12H19NO/c1-10-4-5-12(8-11(10)2)9-13-6-7-14-3/h4-5,8,13H,6-7,9H2,1-3H3
InChIKey
QNKMMGIFXWOGAS-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethylphenyl)methyl]-2-methoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 144.3
[M+Na]+ 216.13589 151.4
[M-H]- 192.13939 148.0
[M+NH4]+ 211.18049 164.2
[M+K]+ 232.10983 149.3
[M+H-H2O]+ 176.14393 138.1
[M+HCOO]- 238.14487 169.2
[M+CH3COO]- 252.16052 189.5
[M+Na-2H]- 214.12134 149.8
[M]+ 193.14612 146.8
[M]- 193.14722 146.8
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