CID 60105800

357338-13-7

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CCCC1=CC(=O)N(C1)[C@@H](CC)C(=O)N
InChI
InChI=1S/C11H18N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h6,9H,3-5,7H2,1-2H3,(H2,12,15)/t9-/m0/s1
InChIKey
IQLREUGNYAURPM-VIFPVBQESA-N
Compound name
(2S)-2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

210.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14411 150.0
[M+Na]+ 233.12605 157.9
[M+NH4]+ 228.17065 156.0
[M+K]+ 249.09999 155.6
[M-H]- 209.12955 149.5
[M+Na-2H]- 231.11150 151.8
[M]+ 210.13628 150.4
[M]- 210.13738 150.4
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

patents stripe