CID 82411107

2680531-82-0

Structural Information

Molecular Formula
C10H13N3
SMILES
CC1=NC=C2C3CCC(N3)CC2=N1
InChI
InChI=1S/C10H13N3/c1-6-11-5-8-9-3-2-7(13-9)4-10(8)12-6/h5,7,9,13H,2-4H2,1H3
InChIKey
JDFSASBFAXZJDO-UHFFFAOYSA-N
Compound name
5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

175.11095 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11823 138.6
[M+Na]+ 198.10017 147.2
[M-H]- 174.10367 136.9
[M+NH4]+ 193.14477 158.7
[M+K]+ 214.07411 142.8
[M+H-H2O]+ 158.10821 131.1
[M+HCOO]- 220.10915 153.3
[M+CH3COO]- 234.12480 150.2
[M+Na-2H]- 196.08562 145.4
[M]+ 175.11040 135.3
[M]- 175.11150 135.3
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