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

1114
Patents

208.15756 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.164836 151.4
[M+Na]+ 231.146778 157.5
[M-H]- 207.150284 152.3
[M+NH4]+ 226.191383 168.5
[M+K]+ 247.120718 155.4
[M+H-H2O]+ 191.154820 137.8
[M+HCOO]- 253.155761 165.9
[M+CH3COO]- 267.171411 198.4
[M+Na-2H]- 229.132226 150.4
[M]+ 208.15701142 144.5
[M]- 208.15810858 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

literature stripe

Patent stripe

patents stripe