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

4771
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 115.1
[M+Na]+ 108.04198 125.6
[M+NH4]+ 103.08659 120.2
[M+K]+ 124.01592 117.9
[M-H]- 84.045489 107.9
[M+Na-2H]- 106.02743 117.7
[M]+ 85.052216 113.6
[M]- 85.053314 113.6
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