CID 10820485
2-(1h-1,2,3,4-tetrazol-5-yl)acetonitrile
Structural Information
- Molecular Formula
- C3H3N5
- SMILES
- C(C#N)C1=NNN=N1
- InChI
- InChI=1S/C3H3N5/c4-2-1-3-5-7-8-6-3/h1H2,(H,5,6,7,8)
- InChIKey
- XONQDQHBPSHLPD-UHFFFAOYSA-N
- Compound name
- 2-(2H-tetrazol-5-yl)acetonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 110.04613 | 114.2 |
[M+Na]+ | 132.02807 | 124.1 |
[M-H]- | 108.03157 | 110.3 |
[M+NH4]+ | 127.07267 | 130.0 |
[M+K]+ | 148.00201 | 123.0 |
[M+H-H2O]+ | 92.036110 | 98.6 |
[M+HCOO]- | 154.03705 | 130.7 |
[M+CH3COO]- | 168.05270 | 125.6 |
[M+Na-2H]- | 130.01352 | 121.9 |
[M]+ | 109.03830 | 107.4 |
[M]- | 109.03940 | 107.4 |