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 175.0
[M+Na]+ 325.18865 177.8
[M-H]- 301.19215 180.8
[M+NH4]+ 320.23325 179.3
[M+K]+ 341.16259 181.0
[M+H-H2O]+ 285.19669 159.6
[M+HCOO]- 347.19763 189.0
[M+CH3COO]- 361.21328 214.3
[M+Na-2H]- 323.17410 177.7
[M]+ 302.19888 189.8
[M]- 302.19998 189.8
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

No patent data available for this compound.