CID 3057107
73953-79-4
Structural Information
- Molecular Formula
- C7H13N5O
- SMILES
- CCC1=NN=C(N1NC(=O)N)CC
- InChI
- InChI=1S/C7H13N5O/c1-3-5-9-10-6(4-2)12(5)11-7(8)13/h3-4H2,1-2H3,(H3,8,11,13)
- InChIKey
- QEBCMCUASZDEOJ-UHFFFAOYSA-N
- Compound name
- (3,5-diethyl-1,2,4-triazol-4-yl)urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 184.11929 | 140.4 |
[M+Na]+ | 206.10123 | 148.8 |
[M-H]- | 182.10473 | 140.3 |
[M+NH4]+ | 201.14583 | 157.6 |
[M+K]+ | 222.07517 | 147.2 |
[M+H-H2O]+ | 166.10927 | 132.2 |
[M+HCOO]- | 228.11021 | 163.3 |
[M+CH3COO]- | 242.12586 | 186.4 |
[M+Na-2H]- | 204.08668 | 144.4 |
[M]+ | 183.11146 | 140.1 |
[M]- | 183.11256 | 140.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.