CID 3061050

78593-85-8

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)(C)N1C=C2C3CCC(C3)C2=C1
InChI
InChI=1S/C13H19N/c1-13(2,3)14-7-11-9-4-5-10(6-9)12(11)8-14/h7-10H,4-6H2,1-3H3
InChIKey
AEBBLVHWTKISRX-UHFFFAOYSA-N
Compound name
4-tert-butyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 149.9
[M+Na]+ 212.14097 158.7
[M-H]- 188.14447 153.1
[M+NH4]+ 207.18557 176.7
[M+K]+ 228.11491 155.9
[M+H-H2O]+ 172.14901 146.0
[M+HCOO]- 234.14995 169.1
[M+CH3COO]- 248.16560 163.2
[M+Na-2H]- 210.12642 152.1
[M]+ 189.15120 150.9
[M]- 189.15230 150.9
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

No patent data available for this compound.