CID 71755576

2-imino-3,3,7,7-tetramethyl-2h,3h,5h,6h,7h-imidazo[1,2-c]imidazolidin-5-one

Structural Information

Molecular Formula
C9H14N4O
SMILES
CC1(C(=N)N=C2N1C(=O)NC2(C)C)C
InChI
InChI=1S/C9H14N4O/c1-8(2)6-11-5(10)9(3,4)13(6)7(14)12-8/h10H,1-4H3,(H,12,14)
InChIKey
MCCLKJZITFUGCJ-UHFFFAOYSA-N
Compound name
2-imino-3,3,7,7-tetramethyl-6H-imidazo[1,5-a]imidazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.124036 139.5
[M+Na]+ 217.105978 151.0
[M-H]- 193.109484 140.1
[M+NH4]+ 212.150583 163.4
[M+K]+ 233.079918 147.7
[M+H-H2O]+ 177.114020 134.6
[M+HCOO]- 239.114961 158.9
[M+CH3COO]- 253.130611 184.7
[M+Na-2H]- 215.091426 143.7
[M]+ 194.11621142 138.3
[M]- 194.11730858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.