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]+ 235.180496 154.4
[M+Na]+ 257.162438 161.2
[M-H]- 233.165944 154.8
[M+NH4]+ 252.207043 170.4
[M+K]+ 273.136378 155.7
[M+H-H2O]+ 217.170480 139.5
[M+HCOO]- 279.171421 167.0
[M+CH3COO]- 293.187071 195.8
[M+Na-2H]- 255.147886 152.4
[M]+ 234.17267142 145.6
[M]- 234.17376858 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.