CID 3079522

4-(2-(dimethylamino)ethoxy)-alpha-methylbenzeneethanamine dihydrochloride

Structural Information

Molecular Formula
C13H22N2O
SMILES
CC(CC1=CC=C(C=C1)OCCN(C)C)N
InChI
InChI=1S/C13H22N2O/c1-11(14)10-12-4-6-13(7-5-12)16-9-8-15(2)3/h4-7,11H,8-10,14H2,1-3H3
InChIKey
YCDJDVCIEHNSQW-UHFFFAOYSA-N
Compound name
1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17322 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 154.7
[M+Na]+ 245.16244 159.5
[M-H]- 221.16594 158.8
[M+NH4]+ 240.20704 173.0
[M+K]+ 261.13638 158.6
[M+H-H2O]+ 205.17048 147.5
[M+HCOO]- 267.17142 179.1
[M+CH3COO]- 281.18707 200.0
[M+Na-2H]- 243.14789 157.5
[M]+ 222.17267 156.0
[M]- 222.17377 156.0
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