CID 57467430

Bicyclo[2.2.1]heptane-1-carboxylic acid, 4-amino-, methyl ester, hydrochloride (1:1)

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)C12CCC(C1)(CC2)N
InChI
InChI=1S/C9H15NO2/c1-12-7(11)8-2-4-9(10,6-8)5-3-8/h2-6,10H2,1H3
InChIKey
SLVBGSLDDDRHKZ-UHFFFAOYSA-N
Compound name
methyl 4-aminobicyclo[2.2.1]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

169.11028 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 138.6
[M+Na]+ 192.09950 145.6
[M-H]- 168.10300 141.0
[M+NH4]+ 187.14410 167.2
[M+K]+ 208.07344 144.1
[M+H-H2O]+ 152.10754 135.3
[M+HCOO]- 214.10848 159.8
[M+CH3COO]- 228.12413 178.3
[M+Na-2H]- 190.08495 143.7
[M]+ 169.10973 136.7
[M]- 169.11083 136.7
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

patents stripe