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 150.3
[M+Na]+ 234.15768 153.6
[M-H]- 210.16118 153.9
[M+NH4]+ 229.20228 168.6
[M+K]+ 250.13162 152.6
[M+H-H2O]+ 194.16572 144.0
[M+HCOO]- 256.16666 171.8
[M+CH3COO]- 270.18231 195.9
[M+Na-2H]- 232.14313 153.6
[M]+ 211.16791 144.3
[M]- 211.16901 144.3
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

patents stripe