CID 93643

57356-18-0

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CCCN(CC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H18N2/c13-11-5-7-12(8-6-11)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10,13H2
InChIKey
RDUONPQXZRHVKQ-UHFFFAOYSA-N
Compound name
4-(azepan-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

142
Patents

190.147 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 144.3
[M+Na]+ 213.13622 154.2
[M+NH4]+ 208.18082 152.6
[M+K]+ 229.11016 148.7
[M-H]- 189.13972 148.5
[M+Na-2H]- 211.12167 151.8
[M]+ 190.14645 146.8
[M]- 190.14755 146.8
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