CID 12795075

76786-65-7

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

COC(=O)C1CCN2C1=CC=C2

InChI

InChI=1S/C9H11NO2/c1-12-9(11)7-4-6-10-5-2-3-8(7)10/h2-3,5,7H,4,6H2,1H3

InChIKey

RCYRFVQGTJTDQC-UHFFFAOYSA-N

Compound name

methyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 165.07898 Da
Monoisotopic Mass: 0.6
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]+	166.086256	135.3
[M+Na]+	188.068198	143.8
[M-H]-	164.071704	138.8
[M+NH4]+	183.112803	159.2
[M+K]+	204.042138	142.7
[M+H-H2O]+	148.076240	129.8
[M+HCOO]-	210.077181	158.1
[M+CH3COO]-	224.092831	176.6
[M+Na-2H]-	186.053646	138.6
[M]+	165.07843142	136.4
[M]-	165.07952858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe