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
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 |
Literature stripe
No literature data available for this compound.