CID 251559

N-cyclohexylidene-2-carbamylcyclohex-1-enylamine

Structural Information

Molecular Formula
C13H20N2O
SMILES
C1CCC(=NC2=C(CCCC2)C(=O)N)CC1
InChI
InChI=1S/C13H20N2O/c14-13(16)11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-9H2,(H2,14,16)
InChIKey
RKLVRQQRPQCYJR-UHFFFAOYSA-N
Compound name
2-(cyclohexylideneamino)cyclohexene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

220.15756 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 151.6
[M+Na]+ 243.14678 153.4
[M-H]- 219.15028 157.4
[M+NH4]+ 238.19138 168.9
[M+K]+ 259.12072 151.1
[M+H-H2O]+ 203.15482 143.8
[M+HCOO]- 265.15576 171.5
[M+CH3COO]- 279.17141 194.2
[M+Na-2H]- 241.13223 153.3
[M]+ 220.15701 142.2
[M]- 220.15811 142.2
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