CID 6328087

Su 4029 dihydrochloride

Structural Information

Molecular Formula
C9H19N3O
SMILES
C1CCCN(CC1)CC/C(=N/O)/N
InChI
InChI=1S/C9H19N3O/c10-9(11-13)5-8-12-6-3-1-2-4-7-12/h13H,1-8H2,(H2,10,11)
InChIKey
PLQJGQLVUVQCGP-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-N'-hydroxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.15282 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.16010 140.9
[M+Na]+ 208.14204 146.3
[M+NH4]+ 203.18664 147.0
[M+K]+ 224.11598 143.4
[M-H]- 184.14554 141.7
[M+Na-2H]- 206.12749 144.4
[M]+ 185.15227 141.4
[M]- 185.15337 141.4
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.