CID 145690299

Benzyl (6s)-5-azaspiro[2.4]heptane-6-carboxylate hydrochloride

Structural Information

Molecular Formula
C14H17NO2
SMILES
C1CC12C[C@H](NC2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C14H17NO2/c16-13(12-8-14(6-7-14)10-15-12)17-9-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2/t12-/m0/s1
InChIKey
DSKIPBDJRFPTEG-LBPRGKRZSA-N
Compound name
benzyl (6S)-5-azaspiro[2.4]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 154.4
[M+Na]+ 254.11515 162.0
[M-H]- 230.11865 160.7
[M+NH4]+ 249.15975 169.1
[M+K]+ 270.08909 158.3
[M+H-H2O]+ 214.12319 147.7
[M+HCOO]- 276.12413 173.7
[M+CH3COO]- 290.13978 165.7
[M+Na-2H]- 252.10060 158.1
[M]+ 231.12538 153.8
[M]- 231.12648 153.8
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