CID 138039779

2241128-81-2

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)(CN)C3=CC=CC=C3
InChI
InChI=1S/C18H26N2O2/c1-16(2,3)22-15(21)20-12-17(13-20)9-18(10-17,11-19)14-7-5-4-6-8-14/h4-8H,9-13,19H2,1-3H3
InChIKey
PUWPLSLIDDCWTN-UHFFFAOYSA-N
Compound name
tert-butyl 6-(aminomethyl)-6-phenyl-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.19943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 178.8
[M+Na]+ 325.18865 179.4
[M+NH4]+ 320.23325 180.1
[M+K]+ 341.16259 174.7
[M-H]- 301.19215 176.1
[M+Na-2H]- 323.17410 180.9
[M]+ 302.19888 176.1
[M]- 302.19998 176.1
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.