CID 155821120

2490400-52-5

Structural Information

Molecular Formula
C9H13NO2
SMILES
COC(=O)C12CC3CC1C2C3N
InChI
InChI=1S/C9H13NO2/c1-12-8(11)9-3-4-2-5(9)6(9)7(4)10/h4-7H,2-3,10H2,1H3
InChIKey
SVUUOVCJDAOYFQ-UHFFFAOYSA-N
Compound name
methyl 3-aminotricyclo[2.2.1.02,6]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09464 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 132.3
[M+Na]+ 190.083858 142.3
[M-H]- 166.087364 134.7
[M+NH4]+ 185.128463 158.5
[M+K]+ 206.057798 138.3
[M+H-H2O]+ 150.091900 130.6
[M+HCOO]- 212.092841 149.9
[M+CH3COO]- 226.108491 145.8
[M+Na-2H]- 188.069306 138.3
[M]+ 167.09409142 140.2
[M]- 167.09518858 140.2
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.