CID 71441572

55297-22-8

Structural Information

Molecular Formula
C9H16N2O
SMILES
CC(C)C1C(C=NC(=O)N1)(C)C
InChI
InChI=1S/C9H16N2O/c1-6(2)7-9(3,4)5-10-8(12)11-7/h5-7H,1-4H3,(H,11,12)
InChIKey
WBVSOWZAMYFHLN-UHFFFAOYSA-N
Compound name
5,5-dimethyl-6-propan-2-yl-1,6-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.133546 137.3
[M+Na]+ 191.115488 145.2
[M-H]- 167.118994 137.0
[M+NH4]+ 186.160093 156.9
[M+K]+ 207.089428 143.4
[M+H-H2O]+ 151.123530 131.6
[M+HCOO]- 213.124471 154.3
[M+CH3COO]- 227.140121 178.6
[M+Na-2H]- 189.100936 141.7
[M]+ 168.12572142 134.8
[M]- 168.12681858 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

No patent data available for this compound.