CID 13206021

88259-98-7

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

COC(=O)C1C2CCC(C2)N1

InChI

InChI=1S/C8H13NO2/c1-11-8(10)7-5-2-3-6(4-5)9-7/h5-7,9H,2-4H2,1H3

InChIKey

HPVCCAYXVXMOOP-UHFFFAOYSA-N

Compound name

methyl 2-azabicyclo[2.2.1]heptane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 155.09464 Da
Monoisotopic Mass: 0.7
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]+	156.101916	135.4
[M+Na]+	178.083858	142.2
[M-H]-	154.087364	135.5
[M+NH4]+	173.128463	159.5
[M+K]+	194.057798	140.8
[M+H-H2O]+	138.091900	130.7
[M+HCOO]-	200.092841	153.9
[M+CH3COO]-	214.108491	173.0
[M+Na-2H]-	176.069306	137.8
[M]+	155.09409142	133.3
[M]-	155.09518858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe