CID 3269978

4-tert-butylcyclohexanone semicarbazone

Structural Information

Molecular Formula
C11H21N3O
SMILES
CC(C)(C)C1CCC(=NNC(=O)N)CC1
InChI
InChI=1S/C11H21N3O/c1-11(2,3)8-4-6-9(7-5-8)13-14-10(12)15/h8H,4-7H2,1-3H3,(H3,12,14,15)
InChIKey
YJHJPZOHGBLPPQ-UHFFFAOYSA-N
Compound name
[(4-tert-butylcyclohexylidene)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.16846 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.17574 151.0
[M+Na]+ 234.15768 157.5
[M+NH4]+ 229.20228 157.9
[M+K]+ 250.13162 153.3
[M-H]- 210.16118 152.9
[M+Na-2H]- 232.14313 154.3
[M]+ 211.16791 151.9
[M]- 211.16901 151.9
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.