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

72
Patents

210.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 149.7
[M+Na]+ 233.126048 156.0
[M-H]- 209.129554 151.3
[M+NH4]+ 228.170653 168.5
[M+K]+ 249.099988 154.3
[M+H-H2O]+ 193.134090 143.1
[M+HCOO]- 255.135031 170.8
[M+CH3COO]- 269.150681 191.0
[M+Na-2H]- 231.111496 149.0
[M]+ 210.13628142 149.2
[M]- 210.13737858 149.2
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