CID 69599

672-81-1

Structural Information

Molecular Formula
C5H4N2O
SMILES
COC=C(C#N)C#N
InChI
InChI=1S/C5H4N2O/c1-8-4-5(2-6)3-7/h4H,1H3
InChIKey
PPIRRJFTJMFMSM-UHFFFAOYSA-N
Compound name
2-(methoxymethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

108.032364 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.03964 134.6
[M+Na]+ 131.02158 144.0
[M-H]- 107.02509 137.2
[M+NH4]+ 126.06619 149.8
[M+K]+ 146.99552 143.4
[M+H-H2O]+ 91.029624 120.7
[M+HCOO]- 153.03056 147.7
[M+CH3COO]- 167.04622 205.6
[M+Na-2H]- 129.00703 138.2
[M]+ 108.03182 127.4
[M]- 108.03291 127.4
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