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]+ 194.19032 153.6
[M+Na]+ 216.17226 160.2
[M-H]- 192.17576 155.9
[M+NH4]+ 211.21686 180.0
[M+K]+ 232.14620 157.8
[M+H-H2O]+ 176.18030 149.6
[M+HCOO]- 238.18124 169.7
[M+CH3COO]- 252.19689 186.9
[M+Na-2H]- 214.15771 153.8
[M]+ 193.18249 151.6
[M]- 193.18359 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.