CID 262986

90946-20-6

Structural Information

Molecular Formula
C10H9N3O2
SMILES
CC1(C2(C1(C(=O)N(C2=O)C)C#N)C#N)C
InChI
InChI=1S/C10H9N3O2/c1-8(2)9(4-11)6(14)13(3)7(15)10(8,9)5-12/h1-3H3
InChIKey
QXACOEJDBFKIEL-UHFFFAOYSA-N
Compound name
3,6,6-trimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06947 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 148.4
[M+Na]+ 226.05869 169.6
[M-H]- 202.06219 156.5
[M+NH4]+ 221.10329 165.8
[M+K]+ 242.03263 159.0
[M+H-H2O]+ 186.06673 140.8
[M+HCOO]- 248.06767 162.0
[M+CH3COO]- 262.08332 219.1
[M+Na-2H]- 224.04414 154.7
[M]+ 203.06892 148.2
[M]- 203.07002 148.2
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.