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]+ 211.180496 152.0
[M+Na]+ 233.162438 157.9
[M-H]- 209.165944 152.0
[M+NH4]+ 228.207043 168.9
[M+K]+ 249.136378 156.8
[M+H-H2O]+ 193.170480 139.7
[M+HCOO]- 255.171421 170.1
[M+CH3COO]- 269.187071 203.2
[M+Na-2H]- 231.147886 153.8
[M]+ 210.17267142 148.8
[M]- 210.17376858 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.