CID 13099193

2-ethoxybutanenitrile

Structural Information

Molecular Formula
C6H11NO
SMILES
CCC(C#N)OCC
InChI
InChI=1S/C6H11NO/c1-3-6(5-7)8-4-2/h6H,3-4H2,1-2H3
InChIKey
GHMJXRLUKUMGSQ-UHFFFAOYSA-N
Compound name
2-ethoxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

113.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 120.9
[M+Na]+ 136.07328 129.8
[M-H]- 112.07678 121.9
[M+NH4]+ 131.11788 141.6
[M+K]+ 152.04722 130.1
[M+H-H2O]+ 96.081320 110.1
[M+HCOO]- 158.08226 140.7
[M+CH3COO]- 172.09791 184.6
[M+Na-2H]- 134.05873 127.0
[M]+ 113.08351 118.0
[M]- 113.08461 118.0
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