CID 59462329

Methyl 4-(aminomethyl)bicyclo[2.2.1]heptane-1-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

COC(=O)C12CCC(C1)(CC2)CN

InChI

InChI=1S/C10H17NO2/c1-13-8(12)10-4-2-9(6-10,7-11)3-5-10/h2-7,11H2,1H3

InChIKey

KTRWXPNPIPVMMK-UHFFFAOYSA-N

Compound name

methyl 4-(aminomethyl)bicyclo[2.2.1]heptane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 183.12593 Da
Monoisotopic Mass: 0.4
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	143.1
[M+Na]+	206.115148	149.7
[M-H]-	182.118654	145.3
[M+NH4]+	201.159753	171.2
[M+K]+	222.089088	148.0
[M+H-H2O]+	166.123190	139.6
[M+HCOO]-	228.124131	164.0
[M+CH3COO]-	242.139781	181.3
[M+Na-2H]-	204.100596	147.7
[M]+	183.12538142	141.6
[M]-	183.12647858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe