CID 13207881

Schembl11204306

Structural Information

Molecular Formula
C6H9NO2
SMILES
COC/C(=C\OC)/C#N
InChI
InChI=1S/C6H9NO2/c1-8-4-6(3-7)5-9-2/h4H,5H2,1-2H3/b6-4-
InChIKey
QZFRWRSOUHEOFM-XQRVVYSFSA-N
Compound name
(Z)-3-methoxy-2-(methoxymethyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.06333 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 123.1
[M+Na]+ 150.052548 132.3
[M-H]- 126.056054 124.1
[M+NH4]+ 145.097153 143.3
[M+K]+ 166.026488 132.5
[M+H-H2O]+ 110.060590 112.1
[M+HCOO]- 172.061531 143.3
[M+CH3COO]- 186.077181 184.9
[M+Na-2H]- 148.037996 129.1
[M]+ 127.06278142 120.8
[M]- 127.06387858 120.8
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

patents stripe