CID 3052706

(-)-trans-epoxysuccinonitrile

Structural Information

Molecular Formula
C4H2N2O
SMILES
C(#N)[C@@H]1[C@H](O1)C#N
InChI
InChI=1S/C4H2N2O/c5-1-3-4(2-6)7-3/h3-4H/t3-,4-/m1/s1
InChIKey
OCNCPWDJFLOERA-QWWZWVQMSA-N
Compound name
(2R,3R)-oxirane-2,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

94.016716 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.023992 122.6
[M+Na]+ 117.005934 140.7
[M-H]- 93.009440 130.8
[M+NH4]+ 112.050539 137.1
[M+K]+ 132.979874 135.9
[M+H-H2O]+ 77.013976 112.4
[M+HCOO]- 139.014917 138.8
[M+CH3COO]- 153.030567 206.0
[M+Na-2H]- 114.991382 131.1
[M]+ 94.01616742 120.5
[M]- 94.01726458 120.5
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.