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]+ 190.159026 149.9
[M+Na]+ 212.140968 158.7
[M-H]- 188.144474 153.1
[M+NH4]+ 207.185573 176.7
[M+K]+ 228.114908 155.9
[M+H-H2O]+ 172.149010 146.0
[M+HCOO]- 234.149951 169.1
[M+CH3COO]- 248.165601 163.2
[M+Na-2H]- 210.126416 152.1
[M]+ 189.15120142 150.9
[M]- 189.15229858 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.