CID 141829

2-methoxypropanenitrile

Structural Information

Molecular Formula
C4H7NO
SMILES
CC(C#N)OC
InChI
InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3
InChIKey
SFPQDYSOPQHZAQ-UHFFFAOYSA-N
Compound name
2-methoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4339
Patents

85.052765 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 112.8
[M+Na]+ 108.041983 122.4
[M-H]- 84.045489 114.1
[M+NH4]+ 103.086588 134.5
[M+K]+ 124.015923 123.3
[M+H-H2O]+ 68.050025 102.3
[M+HCOO]- 130.050966 133.2
[M+CH3COO]- 144.066616 179.2
[M+Na-2H]- 106.027431 119.8
[M]+ 85.05221642 109.2
[M]- 85.05331358 109.2
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