CID 44153805

84029-61-8

Structural Information

Molecular Formula
C11H10N2
SMILES
CC1=C2CCC3=C2C(=CC=C3)N=N1
InChI
InChI=1S/C11H10N2/c1-7-9-6-5-8-3-2-4-10(11(8)9)13-12-7/h2-4H,5-6H2,1H3
InChIKey
QKHJMTICNLAHEA-UHFFFAOYSA-N
Compound name
5-methyl-6,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.091676 134.8
[M+Na]+ 193.073618 145.1
[M-H]- 169.077124 137.3
[M+NH4]+ 188.118223 157.1
[M+K]+ 209.047558 141.2
[M+H-H2O]+ 153.081660 127.7
[M+HCOO]- 215.082601 155.3
[M+CH3COO]- 229.098251 148.7
[M+Na-2H]- 191.059066 143.3
[M]+ 170.08385142 136.0
[M]- 170.08494858 136.0
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.