CID 76661

3189-43-3

Structural Information

Molecular Formula
C6N4O
SMILES
C(#N)C1(C(O1)(C#N)C#N)C#N
InChI
InChI=1S/C6N4O/c7-1-5(2-8)6(3-9,4-10)11-5
InChIKey
YWXLYZIZWVOMML-UHFFFAOYSA-N
Compound name
oxirane-2,2,3,3-tetracarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1047
Patents

144.00722 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01450 152.1
[M+Na]+ 166.99644 162.3
[M-H]- 142.99994 158.5
[M+NH4]+ 162.04104 158.0
[M+K]+ 182.97038 157.7
[M+H-H2O]+ 127.00448 147.4
[M+HCOO]- 189.00542 155.9
[M+CH3COO]- 203.02107 244.7
[M+Na-2H]- 164.98189 153.1
[M]+ 144.00667 150.1
[M]- 144.00777 150.1
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