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 152.6
[M+Na]+ 255.14678 154.8
[M-H]- 231.15028 157.4
[M+NH4]+ 250.19138 167.1
[M+K]+ 271.12072 156.4
[M+H-H2O]+ 215.15482 144.8
[M+HCOO]- 277.15576 170.6
[M+CH3COO]- 291.17141 193.5
[M+Na-2H]- 253.13223 154.9
[M]+ 232.15701 143.9
[M]- 232.15811 143.9
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.