CID 15718476

(1-benzylazepan-3-yl)methanamine

Structural Information

Molecular Formula
C14H22N2
SMILES
C1CCN(CC(C1)CN)CC2=CC=CC=C2
InChI
InChI=1S/C14H22N2/c15-10-14-8-4-5-9-16(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,15H2
InChIKey
GKDRMOQJXZGUAV-UHFFFAOYSA-N
Compound name
(1-benzylazepan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1783 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 150.3
[M+Na]+ 241.16752 152.5
[M-H]- 217.17102 154.9
[M+NH4]+ 236.21212 165.4
[M+K]+ 257.14146 153.3
[M+H-H2O]+ 201.17556 142.4
[M+HCOO]- 263.17650 168.8
[M+CH3COO]- 277.19215 160.3
[M+Na-2H]- 239.15297 153.7
[M]+ 218.17775 141.5
[M]- 218.17885 141.5
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

No patent data available for this compound.