CID 11183347

Ethyl (1r,3s,4s)-2-azabicyclo[2.2.1]heptane-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1
InChI
InChI=1S/C9H15NO2/c1-2-12-9(11)8-6-3-4-7(5-6)10-8/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m0/s1
InChIKey
QJGGRDROGASHNR-RNJXMRFFSA-N
Compound name
ethyl (1R,3S,4S)-2-azabicyclo[2.2.1]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

169.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 140.1
[M+Na]+ 192.09950 146.4
[M-H]- 168.10300 140.0
[M+NH4]+ 187.14410 163.6
[M+K]+ 208.07344 144.8
[M+H-H2O]+ 152.10754 135.2
[M+HCOO]- 214.10848 158.2
[M+CH3COO]- 228.12413 176.0
[M+Na-2H]- 190.08495 142.0
[M]+ 169.10973 138.3
[M]- 169.11083 138.3
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