CID 12895207

4-methoxybutanenitrile

Structural Information

Molecular Formula
C5H9NO
SMILES
COCCCC#N
InChI
InChI=1S/C5H9NO/c1-7-5-3-2-4-6/h2-3,5H2,1H3
InChIKey
SXRBBMWSMIISHJ-UHFFFAOYSA-N
Compound name
4-methoxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

99.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 119.0
[M+Na]+ 122.05763 129.6
[M+NH4]+ 117.10223 124.1
[M+K]+ 138.03157 120.9
[M-H]- 98.061134 112.0
[M+Na-2H]- 120.04308 121.6
[M]+ 99.067861 117.5
[M]- 99.068959 117.5
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