CID 28299309

1082407-58-6

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: 10
Patents: 219.17355 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.18083	151.7
[M+Na]+	242.16277	155.9
[M-H]-	218.16627	157.2
[M+NH4]+	237.20737	170.1
[M+K]+	258.13671	153.7
[M+H-H2O]+	202.17081	143.1
[M+HCOO]-	264.17175	175.0
[M+CH3COO]-	278.18740	195.9
[M+Na-2H]-	240.14822	154.2
[M]+	219.17300	148.1
[M]-	219.17410	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe