CID 3052002

Brn 0887558

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CN1C2CCC1C(C(C2)C(=O)OC)C3=CC=CN3
InChI
InChI=1S/C14H20N2O2/c1-16-9-5-6-12(16)13(11-4-3-7-15-11)10(8-9)14(17)18-2/h3-4,7,9-10,12-13,15H,5-6,8H2,1-2H3
InChIKey
OIZWVNZMCVNJSW-UHFFFAOYSA-N
Compound name
methyl 8-methyl-2-(1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.9
[M+Na]+ 271.14170 167.8
[M+NH4]+ 266.18630 166.5
[M+K]+ 287.11564 166.1
[M-H]- 247.14520 159.1
[M+Na-2H]- 269.12715 160.0
[M]+ 248.15193 159.8
[M]- 248.15303 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.