CID 121552842

Tert-butyl n-({6-azaspiro[3.4]octan-8-yl}methyl)carbamate

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)NCC1CNCC12CCC2
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-10-7-14-9-13(10)5-4-6-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKey
JSQIERZWKALRIT-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-azaspiro[3.4]octan-8-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

240.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 160.2
[M+Na]+ 263.17300 162.4
[M-H]- 239.17650 162.2
[M+NH4]+ 258.21760 172.9
[M+K]+ 279.14694 163.5
[M+H-H2O]+ 223.18104 149.7
[M+HCOO]- 285.18198 175.6
[M+CH3COO]- 299.19763 192.6
[M+Na-2H]- 261.15845 162.6
[M]+ 240.18323 164.8
[M]- 240.18433 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe