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]+ 233.164836 152.6
[M+Na]+ 255.146778 154.8
[M-H]- 231.150284 157.4
[M+NH4]+ 250.191383 167.1
[M+K]+ 271.120718 156.4
[M+H-H2O]+ 215.154820 144.8
[M+HCOO]- 277.155761 170.6
[M+CH3COO]- 291.171411 193.5
[M+Na-2H]- 253.132226 154.9
[M]+ 232.15701142 143.9
[M]- 232.15810858 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.