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]+ 117.00593 140.7
[M-H]- 93.009440 130.8
[M+NH4]+ 112.05054 137.1
[M+K]+ 132.97987 135.9
[M+H-H2O]+ 77.013976 112.4
[M+HCOO]- 139.01492 138.8
[M+CH3COO]- 153.03057 206.0
[M+Na-2H]- 114.99138 131.1
[M]+ 94.016167 120.5
[M]- 94.017265 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.