CID 172429327

Chebi:232512

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1CC2C(C=C(N2C1)N)O

InChI

InChI=1S/C7H12N2O/c8-7-4-6(10)5-2-1-3-9(5)7/h4-6,10H,1-3,8H2

InChIKey

FIVPVAUDJZAZEV-UHFFFAOYSA-N

Compound name

3-amino-5,6,7,8-tetrahydro-1H-pyrrolizin-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 140.09496 Da
Monoisotopic Mass: -0.1
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]+	141.102236	128.5
[M+Na]+	163.084178	136.5
[M-H]-	139.087684	130.2
[M+NH4]+	158.128783	152.4
[M+K]+	179.058118	134.3
[M+H-H2O]+	123.092220	123.3
[M+HCOO]-	185.093161	150.0
[M+CH3COO]-	199.108811	172.4
[M+Na-2H]-	161.069626	131.6
[M]+	140.09441142	124.3
[M]-	140.09550858	124.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.