CID 13007951

4-(4-methyl-1,4-diazepan-1-yl)aniline

Structural Information

Molecular Formula
C12H19N3
SMILES
CN1CCCN(CC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H19N3/c1-14-7-2-8-15(10-9-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3
InChIKey
FMLOSYIZNDLWOM-UHFFFAOYSA-N
Compound name
4-(4-methyl-1,4-diazepan-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

205.1579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.165176 146.4
[M+Na]+ 228.147118 150.5
[M-H]- 204.150624 150.4
[M+NH4]+ 223.191723 161.0
[M+K]+ 244.121058 151.7
[M+H-H2O]+ 188.155160 137.5
[M+HCOO]- 250.156101 164.3
[M+CH3COO]- 264.171751 156.9
[M+Na-2H]- 226.132566 150.2
[M]+ 205.15735142 137.8
[M]- 205.15844858 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe