CID 3348066

Cyclooctanone semicarbazone

Structural Information

Molecular Formula
C9H17N3O
SMILES
C1CCCC(=NNC(=O)N)CCC1
InChI
InChI=1S/C9H17N3O/c10-9(13)12-11-8-6-4-2-1-3-5-7-8/h1-7H2,(H3,10,12,13)
InChIKey
VVZRTXGIBUIDGP-UHFFFAOYSA-N
Compound name
(cyclooctylideneamino)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

183.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.14444 145.8
[M+Na]+ 206.12638 149.0
[M-H]- 182.12988 147.7
[M+NH4]+ 201.17098 154.5
[M+K]+ 222.10032 149.8
[M+H-H2O]+ 166.13442 141.9
[M+HCOO]- 228.13536 156.4
[M+CH3COO]- 242.15101 224.6
[M+Na-2H]- 204.11183 146.3
[M]+ 183.13661 142.6
[M]- 183.13771 142.6
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.