CID 272106

Dehydroheliotridine

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

C1CN2C=CC(=C2[C@H]1O)CO

InChI

InChI=1S/C8H11NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,3,7,10-11H,2,4-5H2/t7-/m0/s1

InChIKey

QFPRRXUPCPFWKD-ZETCQYMHSA-N

Compound name

(1S)-7-(hydroxymethyl)-2,3-dihydro-1H-pyrrolizin-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 41
References: 6
Patents: 153.07898 Da
Monoisotopic Mass: -1.0
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]+	154.08626	131.4
[M+Na]+	176.06820	140.3
[M-H]-	152.07170	132.5
[M+NH4]+	171.11280	154.7
[M+K]+	192.04214	137.8
[M+H-H2O]+	136.07624	126.6
[M+HCOO]-	198.07718	152.3
[M+CH3COO]-	212.09283	170.3
[M+Na-2H]-	174.05365	135.0
[M]+	153.07843	130.2
[M]-	153.07953	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe