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]+ 224.143376 153.0
[M+Na]+ 246.125318 162.4
[M-H]- 222.128824 159.8
[M+NH4]+ 241.169923 178.3
[M+K]+ 262.099258 157.7
[M+H-H2O]+ 206.133360 147.6
[M+HCOO]- 268.134301 174.5
[M+CH3COO]- 282.149951 166.6
[M+Na-2H]- 244.110766 153.9
[M]+ 223.13555142 153.8
[M]- 223.13664858 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.