CID 137935370

2248349-51-9

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC2(C=O)C#N
InChI
InChI=1S/C14H20N2O3/c1-12(2,3)19-11(18)16-6-4-13(5-7-16)8-14(13,9-15)10-17/h10H,4-8H2,1-3H3
InChIKey
NBBGXEXGQHWYBW-UHFFFAOYSA-N
Compound name
tert-butyl 2-cyano-2-formyl-6-azaspiro[2.5]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 164.1
[M+Na]+ 287.136618 178.5
[M-H]- 263.140124 170.4
[M+NH4]+ 282.181223 179.3
[M+K]+ 303.110558 172.6
[M+H-H2O]+ 247.144660 156.0
[M+HCOO]- 309.145601 178.6
[M+CH3COO]- 323.161251 207.2
[M+Na-2H]- 285.122066 170.2
[M]+ 264.14685142 163.7
[M]- 264.14794858 163.7
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.