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

73
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 149.7
[M+Na]+ 233.12605 156.0
[M-H]- 209.12955 151.3
[M+NH4]+ 228.17065 168.5
[M+K]+ 249.09999 154.3
[M+H-H2O]+ 193.13409 143.1
[M+HCOO]- 255.13503 170.8
[M+CH3COO]- 269.15068 191.0
[M+Na-2H]- 231.11150 149.0
[M]+ 210.13628 149.2
[M]- 210.13738 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