CID 84077343

(azepan-4-yl)ureadihydrochloride

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 132.4
[M+Na]+ 180.11072 137.7
[M+NH4]+ 175.15532 138.5
[M+K]+ 196.08466 135.6
[M-H]- 156.11422 132.8
[M+Na-2H]- 178.09617 135.9
[M]+ 157.12095 132.7
[M]- 157.12205 132.7
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.