CID 203233

2-pyrrolidinone, 1-(6-(1-pyrrolidinyl)-4-hexynyl)-

Structural Information

Molecular Formula
C14H22N2O
SMILES
C1CCN(C1)CC#CCCCN2CCCC2=O
InChI
InChI=1S/C14H22N2O/c17-14-8-7-13-16(14)12-4-2-1-3-9-15-10-5-6-11-15/h2,4-13H2
InChIKey
GZELMCLVSWRIOP-UHFFFAOYSA-N
Compound name
1-(6-pyrrolidin-1-ylhex-4-ynyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 154.4
[M+Na]+ 257.16244 161.2
[M-H]- 233.16594 154.8
[M+NH4]+ 252.20704 170.4
[M+K]+ 273.13638 155.7
[M+H-H2O]+ 217.17048 139.5
[M+HCOO]- 279.17142 167.0
[M+CH3COO]- 293.18707 195.8
[M+Na-2H]- 255.14789 152.4
[M]+ 234.17267 145.6
[M]- 234.17377 145.6
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.