CID 3804549

2-(2-oxoazepan-1-yl)acetohydrazide

Structural Information

Molecular Formula
C8H15N3O2
SMILES
C1CCC(=O)N(CC1)CC(=O)NN
InChI
InChI=1S/C8H15N3O2/c9-10-7(12)6-11-5-3-1-2-4-8(11)13/h1-6,9H2,(H,10,12)
InChIKey
UWPFRDXXVMXESX-UHFFFAOYSA-N
Compound name
2-(2-oxoazepan-1-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

185.11642 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.123696 137.3
[M+Na]+ 208.105638 139.8
[M-H]- 184.109144 139.6
[M+NH4]+ 203.150243 153.4
[M+K]+ 224.079578 143.8
[M+H-H2O]+ 168.113680 129.8
[M+HCOO]- 230.114621 157.1
[M+CH3COO]- 244.130271 186.5
[M+Na-2H]- 206.091086 140.6
[M]+ 185.11587142 128.8
[M]- 185.11696858 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe