CID 53874940

3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]aniline dihydrochloride

Structural Information

Molecular Formula
C14H22N2
SMILES
CC1CN(CC1C)CCC2=CC(=CC=C2)N
InChI
InChI=1S/C14H22N2/c1-11-9-16(10-12(11)2)7-6-13-4-3-5-14(15)8-13/h3-5,8,11-12H,6-7,9-10,15H2,1-2H3
InChIKey
HFTCNYIARDEQIU-UHFFFAOYSA-N
Compound name
3-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.1783 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 152.9
[M+Na]+ 241.16752 159.4
[M-H]- 217.17102 157.6
[M+NH4]+ 236.21212 171.8
[M+K]+ 257.14146 155.5
[M+H-H2O]+ 201.17556 145.4
[M+HCOO]- 263.17650 174.3
[M+CH3COO]- 277.19215 192.8
[M+Na-2H]- 239.15297 153.7
[M]+ 218.17775 149.9
[M]- 218.17885 149.9
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