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

11
Patents

231.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.133206 154.4
[M+Na]+ 254.115148 162.0
[M-H]- 230.118654 160.7
[M+NH4]+ 249.159753 169.1
[M+K]+ 270.089088 158.3
[M+H-H2O]+ 214.123190 147.7
[M+HCOO]- 276.124131 173.7
[M+CH3COO]- 290.139781 165.7
[M+Na-2H]- 252.100596 158.1
[M]+ 231.12538142 153.8
[M]- 231.12647858 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