CID 84048401

2225145-98-0

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

COC(=O)C(C1CC2CCC1C2)N

InChI

InChI=1S/C10H17NO2/c1-13-10(12)9(11)8-5-6-2-3-7(8)4-6/h6-9H,2-5,11H2,1H3

InChIKey

OFARDRBSTJBULS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.12593 Da
Monoisotopic Mass: 1.5
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	144.4
[M+Na]+	206.115148	149.5
[M-H]-	182.118654	146.4
[M+NH4]+	201.159753	168.7
[M+K]+	222.089088	148.5
[M+H-H2O]+	166.123190	139.9
[M+HCOO]-	228.124131	164.2
[M+CH3COO]-	242.139781	184.0
[M+Na-2H]-	204.100596	144.7
[M]+	183.12538142	141.9
[M]-	183.12647858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe