CID 55005

83481-69-0

Structural Information

Molecular Formula
C12H20N2O
SMILES
CC(C#CCN1CCCC1)N(C)C(=O)C
InChI
InChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
InChIKey
VHYUYQHTMPWAPK-UHFFFAOYSA-N
Compound name
N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

1045
Patents

208.15756 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 151.4
[M+Na]+ 231.14678 157.5
[M-H]- 207.15028 152.3
[M+NH4]+ 226.19138 168.5
[M+K]+ 247.12072 155.4
[M+H-H2O]+ 191.15482 137.8
[M+HCOO]- 253.15576 165.9
[M+CH3COO]- 267.17141 198.4
[M+Na-2H]- 229.13223 150.4
[M]+ 208.15701 144.5
[M]- 208.15811 144.5
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.