CID 117405

Pilocarpidin

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CCC1C(COC1=O)CC2=CN=CN2

InChI

InChI=1S/C10H14N2O2/c1-2-9-7(5-14-10(9)13)3-8-4-11-6-12-8/h4,6-7,9H,2-3,5H2,1H3,(H,11,12)

InChIKey

QVRFSYRSSMDRPS-UHFFFAOYSA-N

Compound name

3-ethyl-4-(1H-imidazol-5-ylmethyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 194.10553 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.112806	142.5
[M+Na]+	217.094748	150.2
[M-H]-	193.098254	145.9
[M+NH4]+	212.139353	160.8
[M+K]+	233.068688	148.6
[M+H-H2O]+	177.102790	135.6
[M+HCOO]-	239.103731	162.4
[M+CH3COO]-	253.119381	179.3
[M+Na-2H]-	215.080196	144.3
[M]+	194.10498142	141.6
[M]-	194.10607858	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe