CID 3053266

69718-87-2

Structural Information

Molecular Formula
C14H17N
SMILES
C=CCN1CC2CC(C1)C3=CC=CC=C23
InChI
InChI=1S/C14H17N/c1-2-7-15-9-11-8-12(10-15)14-6-4-3-5-13(11)14/h2-6,11-12H,1,7-10H2
InChIKey
SBYALQDYQZIWHH-UHFFFAOYSA-N
Compound name
10-prop-2-enyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

199.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14338 145.6
[M+Na]+ 222.12532 153.1
[M-H]- 198.12882 147.6
[M+NH4]+ 217.16992 168.2
[M+K]+ 238.09926 148.2
[M+H-H2O]+ 182.13336 139.2
[M+HCOO]- 244.13430 163.3
[M+CH3COO]- 258.14995 157.8
[M+Na-2H]- 220.11077 151.0
[M]+ 199.13555 143.6
[M]- 199.13665 143.6
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.