CID 11183347

188057-41-2

Structural Information

Molecular Formula

C₉H₁₅NO₂

SMILES

CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1

InChI

InChI=1S/C9H15NO2/c1-2-12-9(11)8-6-3-4-7(5-6)10-8/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m0/s1

InChIKey

QJGGRDROGASHNR-RNJXMRFFSA-N

Compound name

ethyl (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 169.11028 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]+	170.11756	138.3
[M+Na]+	192.09950	145.7
[M+NH4]+	187.14410	146.4
[M+K]+	208.07344	144.6
[M-H]-	168.10300	136.8
[M+Na-2H]-	190.08495	138.3
[M]+	169.10973	138.4
[M]-	169.11083	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe