CID 146932
2-pyrenemethanol
Structural Information
- Molecular Formula
- C17H12O
- SMILES
- C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)CO)C=C2
- InChI
- InChI=1S/C17H12O/c18-10-11-8-14-6-4-12-2-1-3-13-5-7-15(9-11)17(14)16(12)13/h1-9,18H,10H2
- InChIKey
- XIKICBSLAFJTDZ-UHFFFAOYSA-N
- Compound name
- pyren-2-ylmethanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 233.09610 | 149.7 |
[M+Na]+ | 255.07804 | 159.8 |
[M-H]- | 231.08154 | 154.1 |
[M+NH4]+ | 250.12264 | 170.8 |
[M+K]+ | 271.05198 | 153.8 |
[M+H-H2O]+ | 215.08608 | 142.7 |
[M+HCOO]- | 277.08702 | 169.6 |
[M+CH3COO]- | 291.10267 | 162.7 |
[M+Na-2H]- | 253.06349 | 161.1 |
[M]+ | 232.08827 | 152.9 |
[M]- | 232.08937 | 152.9 |