CID 119478

43021-26-7

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)OC

InChI

InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1

InChIKey

MPSNEAHFGOEKBI-VXNVDRBHSA-N

Compound name

methyl (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 59
References: 248
Patents: 181.11028 Da
Monoisotopic Mass: 1.1
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]+	182.117556	139.9
[M+Na]+	204.099498	147.4
[M-H]-	180.103004	141.4
[M+NH4]+	199.144103	162.4
[M+K]+	220.073438	146.0
[M+H-H2O]+	164.107540	134.5
[M+HCOO]-	226.108481	158.6
[M+CH3COO]-	240.124131	182.3
[M+Na-2H]-	202.084946	143.7
[M]+	181.10973142	140.1
[M]-	181.11082858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe