CID 59836326

Diexo-3-amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
CCOC(=O)[C@@H]1[C@@H](C2CCC1C2)N
InChI
InChI=1S/C10H17NO2/c1-2-13-10(12)8-6-3-4-7(5-6)9(8)11/h6-9H,2-5,11H2,1H3/t6?,7?,8-,9+/m0/s1
InChIKey
UIFFSCXLBNDAFP-ABIFROTESA-N
Compound name
ethyl (2S,3R)-3-aminobicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

183.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 143.1
[M+Na]+ 206.115148 149.4
[M-H]- 182.118654 145.4
[M+NH4]+ 201.159753 167.8
[M+K]+ 222.089088 147.9
[M+H-H2O]+ 166.123190 138.8
[M+HCOO]- 228.124131 164.0
[M+CH3COO]- 242.139781 184.3
[M+Na-2H]- 204.100596 144.0
[M]+ 183.12538142 141.7
[M]- 183.12647858 141.7
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

No patent data available for this compound.