CID 113349
92-64-8
Structural Information
- Molecular Formula
- C11H14N2O
- SMILES
- C1=CC=C(C=C1)N(CCC#N)CCO
- InChI
- InChI=1S/C11H14N2O/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h1-3,5-6,14H,4,8-10H2
- InChIKey
- WZJJWQVBLSPALW-UHFFFAOYSA-N
- Compound name
- 3-[N-(2-hydroxyethyl)anilino]propanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 191.11789 | 144.0 |
[M+Na]+ | 213.09983 | 151.6 |
[M-H]- | 189.10333 | 146.6 |
[M+NH4]+ | 208.14443 | 161.1 |
[M+K]+ | 229.07377 | 149.0 |
[M+H-H2O]+ | 173.10787 | 130.9 |
[M+HCOO]- | 235.10881 | 164.4 |
[M+CH3COO]- | 249.12446 | 198.1 |
[M+Na-2H]- | 211.08528 | 149.6 |
[M]+ | 190.11006 | 139.4 |
[M]- | 190.11116 | 139.4 |