CID 5375917

4713-41-1

Structural Information

Molecular Formula
C11H19N3O
SMILES
CC1=C/C(=N/NC(=O)N)/C(CC1)C(C)C
InChI
InChI=1S/C11H19N3O/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h6-7,9H,4-5H2,1-3H3,(H3,12,14,15)/b13-10-
InChIKey
MMHNCDFKONMERY-RAXLEYEMSA-N
Compound name
[(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.15282 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.16010 149.9
[M+Na]+ 232.14204 154.3
[M-H]- 208.14554 154.0
[M+NH4]+ 227.18664 168.4
[M+K]+ 248.11598 153.2
[M+H-H2O]+ 192.15008 143.1
[M+HCOO]- 254.15102 173.4
[M+CH3COO]- 268.16667 198.0
[M+Na-2H]- 230.12749 151.3
[M]+ 209.15227 145.6
[M]- 209.15337 145.6
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

No patent data available for this compound.