CID 206828

28740-94-5

Structural Information

Molecular Formula
C12H14N2
SMILES
CN1CCN2C=CC3=C2C(=CC=C3)C1
InChI
InChI=1S/C12H14N2/c1-13-7-8-14-6-5-10-3-2-4-11(9-13)12(10)14/h2-6H,7-9H2,1H3
InChIKey
RNLBGSRXADARRS-UHFFFAOYSA-N
Compound name
10-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

186.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.122966 139.0
[M+Na]+ 209.104908 148.0
[M-H]- 185.108414 143.0
[M+NH4]+ 204.149513 159.6
[M+K]+ 225.078848 146.9
[M+H-H2O]+ 169.112950 132.6
[M+HCOO]- 231.113891 158.7
[M+CH3COO]- 245.129541 152.1
[M+Na-2H]- 207.090356 146.5
[M]+ 186.11514142 137.6
[M]- 186.11623858 137.6
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

patents stripe