CID 3059575

76777-25-8

Structural Information

Molecular Formula
C12H15N
SMILES
C1CC2CC(C3=CC=CC=C23)NC1
InChI
InChI=1S/C12H15N/c1-2-6-11-10(5-1)9-4-3-7-13-12(11)8-9/h1-2,5-6,9,12-13H,3-4,7-8H2
InChIKey
ABOUYZHRMJRMRX-UHFFFAOYSA-N
Compound name
9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

173.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 136.0
[M+Na]+ 196.10967 141.9
[M-H]- 172.11317 138.4
[M+NH4]+ 191.15427 157.5
[M+K]+ 212.08361 140.0
[M+H-H2O]+ 156.11771 131.4
[M+HCOO]- 218.11865 152.6
[M+CH3COO]- 232.13430 147.8
[M+Na-2H]- 194.09512 142.5
[M]+ 173.11990 129.3
[M]- 173.12100 129.3
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.