CID 3076561

Brn 4742246

Structural Information

Molecular Formula
C12H20N2O
SMILES
CC(=NC1=CC(=O)CC(C1)(C)C)N(C)C
InChI
InChI=1S/C12H20N2O/c1-9(14(4)5)13-10-6-11(15)8-12(2,3)7-10/h6H,7-8H2,1-5H3
InChIKey
XOEWPJBCNSZSDA-UHFFFAOYSA-N
Compound name
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-N,N-dimethylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.15756 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 146.9
[M+Na]+ 231.14678 153.1
[M-H]- 207.15028 153.2
[M+NH4]+ 226.19138 168.9
[M+K]+ 247.12072 153.3
[M+H-H2O]+ 191.15482 141.3
[M+HCOO]- 253.15576 171.3
[M+CH3COO]- 267.17141 198.6
[M+Na-2H]- 229.13223 150.6
[M]+ 208.15701 147.0
[M]- 208.15811 147.0
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.