CID 206828

Brn 0958578

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]+ 187.12297 139.0
[M+Na]+ 209.10491 148.0
[M-H]- 185.10841 143.0
[M+NH4]+ 204.14951 159.6
[M+K]+ 225.07885 146.9
[M+H-H2O]+ 169.11295 132.6
[M+HCOO]- 231.11389 158.7
[M+CH3COO]- 245.12954 152.1
[M+Na-2H]- 207.09036 146.5
[M]+ 186.11514 137.6
[M]- 186.11624 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