CID 12424665
50781-87-8
Structural Information
- Molecular Formula
- C10H10N2
- SMILES
- C1CN(C2=CC=CC=C21)CC#N
- InChI
- InChI=1S/C10H10N2/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5,7-8H2
- InChIKey
- BRGHGUOTLPIBKE-UHFFFAOYSA-N
- Compound name
- 2-(2,3-dihydroindol-1-yl)acetonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 159.09168 | 133.6 |
[M+Na]+ | 181.07362 | 144.3 |
[M-H]- | 157.07712 | 135.8 |
[M+NH4]+ | 176.11822 | 153.7 |
[M+K]+ | 197.04756 | 139.2 |
[M+H-H2O]+ | 141.08166 | 120.5 |
[M+HCOO]- | 203.08260 | 152.2 |
[M+CH3COO]- | 217.09825 | 145.8 |
[M+Na-2H]- | 179.05907 | 139.7 |
[M]+ | 158.08385 | 127.8 |
[M]- | 158.08495 | 127.8 |