CID 43373746

(2-aminoethyl)[(4-methoxyphenyl)methyl]methylamine dihydrochloride

Structural Information

Molecular Formula
C11H18N2O
SMILES
CN(CCN)CC1=CC=C(C=C1)OC
InChI
InChI=1S/C11H18N2O/c1-13(8-7-12)9-10-3-5-11(14-2)6-4-10/h3-6H,7-9,12H2,1-2H3
InChIKey
PSUOGTOBVPQWMK-UHFFFAOYSA-N
Compound name
N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

194.1419 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 144.7
[M+Na]+ 217.131118 150.6
[M-H]- 193.134624 149.1
[M+NH4]+ 212.175723 164.2
[M+K]+ 233.105058 149.7
[M+H-H2O]+ 177.139160 137.8
[M+HCOO]- 239.140101 170.8
[M+CH3COO]- 253.155751 193.1
[M+Na-2H]- 215.116566 149.9
[M]+ 194.14135142 145.9
[M]- 194.14244858 145.9
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