CID 3079526

4-(3-(dimethylamino)propoxy)-alpha-methylbenzeneethanamine dihydrochloride

Structural Information

Molecular Formula
C14H24N2O
SMILES
CC(CC1=CC=C(C=C1)OCCCN(C)C)N
InChI
InChI=1S/C14H24N2O/c1-12(15)11-13-5-7-14(8-6-13)17-10-4-9-16(2)3/h5-8,12H,4,9-11,15H2,1-3H3
InChIKey
TXUYXKOMYKUHAX-UHFFFAOYSA-N
Compound name
1-[4-[3-(dimethylamino)propoxy]phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.18886 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.19614 159.4
[M+Na]+ 259.17808 163.7
[M-H]- 235.18158 163.2
[M+NH4]+ 254.22268 177.0
[M+K]+ 275.15202 162.5
[M+H-H2O]+ 219.18612 151.9
[M+HCOO]- 281.18706 183.4
[M+CH3COO]- 295.20271 203.0
[M+Na-2H]- 257.16353 161.6
[M]+ 236.18831 161.0
[M]- 236.18941 161.0
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

No patent data available for this compound.