CID 207660

30451-37-7

Structural Information

Molecular Formula
C16H17N
SMILES
CC1=CC=C(C=C1)N2C=C3C4CCC(C4)C3=C2
InChI
InChI=1S/C16H17N/c1-11-2-6-14(7-3-11)17-9-15-12-4-5-13(8-12)16(15)10-17/h2-3,6-7,9-10,12-13H,4-5,8H2,1H3
InChIKey
OJOCBTWOGSFABD-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-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

223.1361 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 153.0
[M+Na]+ 246.12532 162.4
[M-H]- 222.12882 159.8
[M+NH4]+ 241.16992 178.3
[M+K]+ 262.09926 157.7
[M+H-H2O]+ 206.13336 147.6
[M+HCOO]- 268.13430 174.5
[M+CH3COO]- 282.14995 166.6
[M+Na-2H]- 244.11077 153.9
[M]+ 223.13555 153.8
[M]- 223.13665 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.