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]+ 209.164836 146.9
[M+Na]+ 231.146778 153.1
[M-H]- 207.150284 153.2
[M+NH4]+ 226.191383 168.9
[M+K]+ 247.120718 153.3
[M+H-H2O]+ 191.154820 141.3
[M+HCOO]- 253.155761 171.3
[M+CH3COO]- 267.171411 198.6
[M+Na-2H]- 229.132226 150.6
[M]+ 208.15701142 147.0
[M]- 208.15810858 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.