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]+ 219.185576 152.9
[M+Na]+ 241.167518 159.4
[M-H]- 217.171024 157.6
[M+NH4]+ 236.212123 171.8
[M+K]+ 257.141458 155.5
[M+H-H2O]+ 201.175560 145.4
[M+HCOO]- 263.176501 174.3
[M+CH3COO]- 277.192151 192.8
[M+Na-2H]- 239.152966 153.7
[M]+ 218.17775142 149.9
[M]- 218.17884858 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