CID 165477899

2770358-65-9

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

COC(=O)C(C12CCC(C1)CC2)N

InChI

InChI=1S/C10H17NO2/c1-13-9(12)8(11)10-4-2-7(6-10)3-5-10/h7-8H,2-6,11H2,1H3

InChIKey

DEJQEPCIUGIZMU-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-(1-bicyclo[2.2.1]heptanyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.12593 Da
Monoisotopic Mass: 1.3
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]+	184.133206	144.8
[M+Na]+	206.115148	150.0
[M-H]-	182.118654	146.7
[M+NH4]+	201.159753	170.7
[M+K]+	222.089088	148.9
[M+H-H2O]+	166.123190	140.7
[M+HCOO]-	228.124131	164.6
[M+CH3COO]-	242.139781	182.4
[M+Na-2H]-	204.100596	146.8
[M]+	183.12538142	142.2
[M]-	183.12647858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.