CID 28087

N-(4-(diethylamino)-2-butynyl)butyramide hydrochloride

Structural Information

Molecular Formula
C12H22N2O
SMILES
CCCC(=O)NCC#CCN(CC)CC
InChI
InChI=1S/C12H22N2O/c1-4-9-12(15)13-10-7-8-11-14(5-2)6-3/h4-6,9-11H2,1-3H3,(H,13,15)
InChIKey
YYBOMSGJTKXNRF-UHFFFAOYSA-N
Compound name
N-[4-(diethylamino)but-2-ynyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.17322 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 152.0
[M+Na]+ 233.16244 157.9
[M-H]- 209.16594 152.0
[M+NH4]+ 228.20704 168.9
[M+K]+ 249.13638 156.8
[M+H-H2O]+ 193.17048 139.7
[M+HCOO]- 255.17142 170.1
[M+CH3COO]- 269.18707 203.2
[M+Na-2H]- 231.14789 153.8
[M]+ 210.17267 148.8
[M]- 210.17377 148.8
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.