CID 84077343

(azepan-4-yl)urea dihydrochloride

Structural Information

Molecular Formula
C7H15N3O
SMILES
C1CC(CCNC1)NC(=O)N
InChI
InChI=1S/C7H15N3O/c8-7(11)10-6-2-1-4-9-5-3-6/h6,9H,1-5H2,(H3,8,10,11)
InChIKey
FDPBEKRDJYDLHO-UHFFFAOYSA-N
Compound name
azepan-4-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.1215 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.128776 132.0
[M+Na]+ 180.110718 133.4
[M-H]- 156.114224 132.8
[M+NH4]+ 175.155323 148.3
[M+K]+ 196.084658 136.7
[M+H-H2O]+ 140.118760 124.7
[M+HCOO]- 202.119701 150.2
[M+CH3COO]- 216.135351 179.0
[M+Na-2H]- 178.096166 135.9
[M]+ 157.12095142 120.3
[M]- 157.12204858 120.3
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.