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]+ 168.10192 132.3
[M+Na]+ 190.08386 142.3
[M-H]- 166.08736 134.7
[M+NH4]+ 185.12846 158.5
[M+K]+ 206.05780 138.3
[M+H-H2O]+ 150.09190 130.6
[M+HCOO]- 212.09284 149.9
[M+CH3COO]- 226.10849 145.8
[M+Na-2H]- 188.06931 138.3
[M]+ 167.09409 140.2
[M]- 167.09519 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.