CID 59657913

1-phenylazepan-4-amine

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CC(CCN(C1)C2=CC=CC=C2)N
InChI
InChI=1S/C12H18N2/c13-11-5-4-9-14(10-8-11)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10,13H2
InChIKey
JVQOJFUZTCPWHE-UHFFFAOYSA-N
Compound name
1-phenylazepan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.154276 141.6
[M+Na]+ 213.136218 144.6
[M-H]- 189.139724 146.6
[M+NH4]+ 208.180823 157.8
[M+K]+ 229.110158 146.0
[M+H-H2O]+ 173.144260 134.2
[M+HCOO]- 235.145201 160.8
[M+CH3COO]- 249.160851 152.5
[M+Na-2H]- 211.121666 146.1
[M]+ 190.14645142 132.2
[M]- 190.14754858 132.2
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