CID 28299309

N1-methyl-n1-[2-(pyrrolidin-1-yl)ethyl]benzene-1,4-diamine

Structural Information

Molecular Formula
C13H21N3
SMILES
CN(CCN1CCCC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H21N3/c1-15(10-11-16-8-2-3-9-16)13-6-4-12(14)5-7-13/h4-7H,2-3,8-11,14H2,1H3
InChIKey
RMTRZUKBXXNAIT-UHFFFAOYSA-N
Compound name
4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

219.17355 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.180826 151.7
[M+Na]+ 242.162768 155.9
[M-H]- 218.166274 157.2
[M+NH4]+ 237.207373 170.1
[M+K]+ 258.136708 153.7
[M+H-H2O]+ 202.170810 143.1
[M+HCOO]- 264.171751 175.0
[M+CH3COO]- 278.187401 195.9
[M+Na-2H]- 240.148216 154.2
[M]+ 219.17300142 148.1
[M]- 219.17409858 148.1
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