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]+ 186.12370 137.3
[M+Na]+ 208.10564 139.8
[M-H]- 184.10914 139.6
[M+NH4]+ 203.15024 153.4
[M+K]+ 224.07958 143.8
[M+H-H2O]+ 168.11368 129.8
[M+HCOO]- 230.11462 157.1
[M+CH3COO]- 244.13027 186.5
[M+Na-2H]- 206.09109 140.6
[M]+ 185.11587 128.8
[M]- 185.11697 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