CID 28089

Butyramide, n-(4-piperidino-2-butynyl)-, oxalate (1:1)

Structural Information

Molecular Formula
C13H22N2O
SMILES
CCCC(=O)NCC#CCN1CCCCC1
InChI
InChI=1S/C13H22N2O/c1-2-8-13(16)14-9-4-7-12-15-10-5-3-6-11-15/h2-3,5-6,8-12H2,1H3,(H,14,16)
InChIKey
MUDKQIQDIDQMTA-UHFFFAOYSA-N
Compound name
N-(4-piperidin-1-ylbut-2-ynyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.17322 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 152.6
[M+Na]+ 245.16244 157.6
[M-H]- 221.16594 151.8
[M+NH4]+ 240.20704 167.1
[M+K]+ 261.13638 153.8
[M+H-H2O]+ 205.17048 139.2
[M+HCOO]- 267.17142 165.5
[M+CH3COO]- 281.18707 197.5
[M+Na-2H]- 243.14789 154.4
[M]+ 222.17267 143.7
[M]- 222.17377 143.7
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.