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

95
Patents

169.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.117556 140.1
[M+Na]+ 192.099498 146.4
[M-H]- 168.103004 140.0
[M+NH4]+ 187.144103 163.6
[M+K]+ 208.073438 144.8
[M+H-H2O]+ 152.107540 135.2
[M+HCOO]- 214.108481 158.2
[M+CH3COO]- 228.124131 176.0
[M+Na-2H]- 190.084946 142.0
[M]+ 169.10973142 138.3
[M]- 169.11082858 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