CID 2377097

2-cyano-n-(3-ethoxypropyl)acetamide

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CCOCCCNC(=O)CC#N
InChI
InChI=1S/C8H14N2O2/c1-2-12-7-3-6-10-8(11)4-5-9/h2-4,6-7H2,1H3,(H,10,11)
InChIKey
CYXWZTKRUQZGBI-UHFFFAOYSA-N
Compound name
2-cyano-N-(3-ethoxypropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

170.10553 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.112806 135.8
[M+Na]+ 193.094748 143.2
[M-H]- 169.098254 136.2
[M+NH4]+ 188.139353 153.9
[M+K]+ 209.068688 143.1
[M+H-H2O]+ 153.102790 123.8
[M+HCOO]- 215.103731 156.2
[M+CH3COO]- 229.119381 194.7
[M+Na-2H]- 191.080196 140.8
[M]+ 170.10498142 133.2
[M]- 170.10607858 133.2
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