CID 207659

30451-33-3

Structural Information

Molecular Formula
C16H15N
SMILES
CC1=CC=C(C=C1)N2C=C3C4CC(C3=C2)C=C4
InChI
InChI=1S/C16H15N/c1-11-2-6-14(7-3-11)17-9-15-12-4-5-13(8-12)16(15)10-17/h2-7,9-10,12-13H,8H2,1H3
InChIKey
AUYIENLMFAWSLX-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 151.5
[M+Na]+ 244.10967 162.0
[M-H]- 220.11317 158.8
[M+NH4]+ 239.15427 177.0
[M+K]+ 260.08361 157.1
[M+H-H2O]+ 204.11771 146.1
[M+HCOO]- 266.11865 174.5
[M+CH3COO]- 280.13430 165.7
[M+Na-2H]- 242.09512 153.5
[M]+ 221.11990 153.8
[M]- 221.12100 153.8
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.