CID 16228052

[4-(azepane-1-carbonyl)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C14H20N2O
SMILES
C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C14H20N2O/c15-11-12-5-7-13(8-6-12)14(17)16-9-3-1-2-4-10-16/h5-8H,1-4,9-11,15H2
InChIKey
RLJLVHNJZPGEBL-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)phenyl]-(azepan-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 155.1
[M+Na]+ 255.14678 163.9
[M+NH4]+ 250.19138 162.2
[M+K]+ 271.12072 159.1
[M-H]- 231.15028 158.3
[M+Na-2H]- 253.13223 161.2
[M]+ 232.15701 157.0
[M]- 232.15811 157.0
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.