CID 3061052

78593-87-0

Structural Information

Molecular Formula
C13H23N
SMILES
CC(C)(C)N1CC2C3CCC(C3)C2C1
InChI
InChI=1S/C13H23N/c1-13(2,3)14-7-11-9-4-5-10(6-9)12(11)8-14/h9-12H,4-8H2,1-3H3
InChIKey
USJLMWXIEVGGCY-UHFFFAOYSA-N
Compound name
4-tert-butyl-4-azatricyclo[5.2.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.18304 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.190316 153.6
[M+Na]+ 216.172258 160.2
[M-H]- 192.175764 155.9
[M+NH4]+ 211.216863 180.0
[M+K]+ 232.146198 157.8
[M+H-H2O]+ 176.180300 149.6
[M+HCOO]- 238.181241 169.7
[M+CH3COO]- 252.196891 186.9
[M+Na-2H]- 214.157706 153.8
[M]+ 193.18249142 151.6
[M]- 193.18358858 151.6
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.