CID 14104092

2-chloro-3-methoxypropanenitrile

Structural Information

Molecular Formula
C4H6ClNO
SMILES
COCC(C#N)Cl
InChI
InChI=1S/C4H6ClNO/c1-7-3-4(5)2-6/h4H,3H2,1H3
InChIKey
SKEFUXLNRWANKT-UHFFFAOYSA-N
Compound name
2-chloro-3-methoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

119.013794 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02107 118.1
[M+Na]+ 142.00301 128.6
[M-H]- 118.00652 119.3
[M+NH4]+ 137.04762 139.4
[M+K]+ 157.97695 127.2
[M+H-H2O]+ 102.01105 108.5
[M+HCOO]- 164.01200 134.5
[M+CH3COO]- 178.02764 182.7
[M+Na-2H]- 139.98846 124.8
[M]+ 119.01325 116.1
[M]- 119.01434 116.1
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

No patent data available for this compound.