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 160.0
[M+Na]+ 271.14170 166.3
[M-H]- 247.14520 162.0
[M+NH4]+ 266.18630 179.2
[M+K]+ 287.11564 162.9
[M+H-H2O]+ 231.14974 153.3
[M+HCOO]- 293.15068 175.3
[M+CH3COO]- 307.16633 192.0
[M+Na-2H]- 269.12715 158.9
[M]+ 248.15193 157.6
[M]- 248.15303 157.6
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.