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]+ 303.206706 175.0
[M+Na]+ 325.188648 177.8
[M-H]- 301.192154 180.8
[M+NH4]+ 320.233253 179.3
[M+K]+ 341.162588 181.0
[M+H-H2O]+ 285.196690 159.6
[M+HCOO]- 347.197631 189.0
[M+CH3COO]- 361.213281 214.3
[M+Na-2H]- 323.174096 177.7
[M]+ 302.19888142 189.8
[M]- 302.19997858 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.