CID 20662

2-cyanoethylene oxide

Structural Information

Molecular Formula
C3H3NO
SMILES
C1C(O1)C#N
InChI
InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2
InChIKey
RSHIVZARDAPEDE-UHFFFAOYSA-N
Compound name
oxirane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

87
Patents

69.02146 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.028736 104.4
[M+Na]+ 92.010678 120.6
[M-H]- 68.014184 111.8
[M+NH4]+ 87.055283 122.8
[M+K]+ 107.98462 118.3
[M+H-H2O]+ 52.018720 95.4
[M+HCOO]- 114.01966 127.1
[M+CH3COO]- 128.03531 177.7
[M+Na-2H]- 89.996126 116.2
[M]+ 69.020911 104.6
[M]- 69.022009 104.6
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