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]+ 222.127726 151.5
[M+Na]+ 244.109668 162.0
[M-H]- 220.113174 158.8
[M+NH4]+ 239.154273 177.0
[M+K]+ 260.083608 157.1
[M+H-H2O]+ 204.117710 146.1
[M+HCOO]- 266.118651 174.5
[M+CH3COO]- 280.134301 165.7
[M+Na-2H]- 242.095116 153.5
[M]+ 221.11990142 153.8
[M]- 221.12099858 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.