CID 6328087

3194-36-3

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]+ 186.160096 139.8
[M+Na]+ 208.142038 140.8
[M-H]- 184.145544 141.5
[M+NH4]+ 203.186643 155.7
[M+K]+ 224.115978 144.4
[M+H-H2O]+ 168.150080 132.0
[M+HCOO]- 230.151021 158.8
[M+CH3COO]- 244.166671 187.1
[M+Na-2H]- 206.127486 143.2
[M]+ 185.15227142 130.6
[M]- 185.15336858 130.6
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.