CID 74442

Methoxyacetonitrile

Structural Information

Molecular Formula
C3H5NO
SMILES
COCC#N
InChI
InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3
InChIKey
QKPVEISEHYYHRH-UHFFFAOYSA-N
Compound name
2-methoxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

11960
Patents

71.03712 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.044396 107.3
[M+Na]+ 94.026338 117.6
[M-H]- 70.029844 108.8
[M+NH4]+ 89.070943 129.6
[M+K]+ 110.00028 118.3
[M+H-H2O]+ 54.034380 97.0
[M+HCOO]- 116.03532 128.9
[M+CH3COO]- 130.05097 175.7
[M+Na-2H]- 92.011786 116.1
[M]+ 71.036571 104.1
[M]- 71.037669 104.1
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