CID 11768576

5-cyanovaleramide

Structural Information

Molecular Formula
C6H10N2O
SMILES
C(CCC(=O)N)CC#N
InChI
InChI=1S/C6H10N2O/c7-5-3-1-2-4-6(8)9/h1-4H2,(H2,8,9)
InChIKey
XZUDGZXKOFPLBC-UHFFFAOYSA-N
Compound name
5-cyanopentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

312
Patents

126.079315 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 126.4
[M+Na]+ 149.068533 134.5
[M-H]- 125.072039 126.7
[M+NH4]+ 144.113138 145.8
[M+K]+ 165.042473 134.1
[M+H-H2O]+ 109.076575 115.0
[M+HCOO]- 171.077516 146.5
[M+CH3COO]- 185.093166 187.4
[M+Na-2H]- 147.053981 131.3
[M]+ 126.07876642 121.0
[M]- 126.07986358 121.0
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