CID 136203113

Pyrrolizixenamine

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1CC2C(=CC(=N)N2C1)O

InChI

InChI=1S/C7H10N2O/c8-7-4-6(10)5-2-1-3-9(5)7/h4-5,8,10H,1-3H2

InChIKey

WBCHXAQPTGQJAY-UHFFFAOYSA-N

Compound name

3-imino-5,6,7,8-tetrahydropyrrolizin-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.07932 Da
Monoisotopic Mass: -0.2
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]+	139.086596	127.3
[M+Na]+	161.068538	135.5
[M-H]-	137.072044	129.5
[M+NH4]+	156.113143	151.5
[M+K]+	177.042478	133.2
[M+H-H2O]+	121.076580	122.1
[M+HCOO]-	183.077521	149.6
[M+CH3COO]-	197.093171	172.1
[M+Na-2H]-	159.053986	131.4
[M]+	138.07877142	123.4
[M]-	138.07986858	123.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.