CID 85676

14068-64-5

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)C1C(C(NC(=O)N1)O)(C)C
InChI
InChI=1S/C9H18N2O2/c1-5(2)6-9(3,4)7(12)11-8(13)10-6/h5-7,12H,1-4H3,(H2,10,11,13)
InChIKey
ZRAXXNFGAHLING-UHFFFAOYSA-N
Compound name
4-hydroxy-5,5-dimethyl-6-propan-2-yl-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

186.13683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 144.1
[M+Na]+ 209.126048 151.0
[M-H]- 185.129554 141.0
[M+NH4]+ 204.170653 161.7
[M+K]+ 225.099988 148.1
[M+H-H2O]+ 169.134090 139.2
[M+HCOO]- 231.135031 156.8
[M+CH3COO]- 245.150681 177.4
[M+Na-2H]- 207.111496 145.7
[M]+ 186.13628142 138.3
[M]- 186.13737858 138.3
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