CID 118729

1,1'-hexamethylenebis(pyrrolidin-2-one)

Structural Information

Molecular Formula
C14H24N2O2
SMILES
C1CC(=O)N(C1)CCCCCCN2CCCC2=O
InChI
InChI=1S/C14H24N2O2/c17-13-7-5-11-15(13)9-3-1-2-4-10-16-12-6-8-14(16)18/h1-12H2
InChIKey
CGJZPGDXEGFRAL-UHFFFAOYSA-N
Compound name
1-[6-(2-oxopyrrolidin-1-yl)hexyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

252.18378 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.191056 163.1
[M+Na]+ 275.172998 167.5
[M-H]- 251.176504 165.8
[M+NH4]+ 270.217603 180.6
[M+K]+ 291.146938 164.9
[M+H-H2O]+ 235.181040 154.8
[M+HCOO]- 297.181981 181.3
[M+CH3COO]- 311.197631 193.7
[M+Na-2H]- 273.158446 160.5
[M]+ 252.18323142 161.2
[M]- 252.18432858 161.2
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

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