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]+ 158.12878 132.0
[M+Na]+ 180.11072 133.4
[M-H]- 156.11422 132.8
[M+NH4]+ 175.15532 148.3
[M+K]+ 196.08466 136.7
[M+H-H2O]+ 140.11876 124.7
[M+HCOO]- 202.11970 150.2
[M+CH3COO]- 216.13535 179.0
[M+Na-2H]- 178.09617 135.9
[M]+ 157.12095 120.3
[M]- 157.12205 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.