CID 14593447
16020-15-8
Structural Information
- Molecular Formula
- C12H12O
- SMILES
- CC1(C=CC2=CC=CC=C2C1=O)C
- InChI
- InChI=1S/C12H12O/c1-12(2)8-7-9-5-3-4-6-10(9)11(12)13/h3-8H,1-2H3
- InChIKey
- MVWSDWVTRYPWLS-UHFFFAOYSA-N
- Compound name
- 2,2-dimethylnaphthalen-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 173.09610 | 134.1 |
[M+Na]+ | 195.07804 | 143.9 |
[M-H]- | 171.08154 | 139.3 |
[M+NH4]+ | 190.12264 | 158.0 |
[M+K]+ | 211.05198 | 140.8 |
[M+H-H2O]+ | 155.08608 | 128.9 |
[M+HCOO]- | 217.08702 | 156.7 |
[M+CH3COO]- | 231.10267 | 181.1 |
[M+Na-2H]- | 193.06349 | 142.7 |
[M]+ | 172.08827 | 134.2 |
[M]- | 172.08937 | 134.2 |