CID 85932

15904-24-2

Structural Information

Molecular Formula
C9H18N2O
SMILES
CC(C)C1C(CNC(=O)N1)(C)C
InChI
InChI=1S/C9H18N2O/c1-6(2)7-9(3,4)5-10-8(12)11-7/h6-7H,5H2,1-4H3,(H2,10,11,12)
InChIKey
IHHDKPLQNIJYFX-UHFFFAOYSA-N
Compound name
5,5-dimethyl-4-propan-2-yl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

170.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 140.7
[M+Na]+ 193.131118 147.1
[M-H]- 169.134624 138.6
[M+NH4]+ 188.175723 159.3
[M+K]+ 209.105058 144.6
[M+H-H2O]+ 153.139160 135.3
[M+HCOO]- 215.140101 154.7
[M+CH3COO]- 229.155751 176.5
[M+Na-2H]- 191.116566 143.4
[M]+ 170.14135142 134.8
[M]- 170.14244858 134.8
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

patents stripe