CID 3076559

Brn 4741653

Structural Information

Molecular Formula
C11H18N2O
SMILES
CC1(CC(=CC(=O)C1)N=CN(C)C)C
InChI
InChI=1S/C11H18N2O/c1-11(2)6-9(5-10(14)7-11)12-8-13(3)4/h5,8H,6-7H2,1-4H3
InChIKey
GNRXTJLKBKKAME-UHFFFAOYSA-N
Compound name
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1419 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 141.9
[M+Na]+ 217.131118 148.7
[M-H]- 193.134624 148.4
[M+NH4]+ 212.175723 164.5
[M+K]+ 233.105058 148.7
[M+H-H2O]+ 177.139160 136.3
[M+HCOO]- 239.140101 167.6
[M+CH3COO]- 253.155751 195.4
[M+Na-2H]- 215.116566 147.4
[M]+ 194.14135142 142.4
[M]- 194.14244858 142.4
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.