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]+ 195.12404 139.5
[M+Na]+ 217.10598 151.0
[M-H]- 193.10948 140.1
[M+NH4]+ 212.15058 163.4
[M+K]+ 233.07992 147.7
[M+H-H2O]+ 177.11402 134.6
[M+HCOO]- 239.11496 158.9
[M+CH3COO]- 253.13061 184.7
[M+Na-2H]- 215.09143 143.7
[M]+ 194.11621 138.3
[M]- 194.11731 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.