CID 13183276
2,2,3-trimethylbutanal
Structural Information
- Molecular Formula
- C7H14O
- SMILES
- CC(C)C(C)(C)C=O
- InChI
- InChI=1S/C7H14O/c1-6(2)7(3,4)5-8/h5-6H,1-4H3
- InChIKey
- PRFUJBMOTAXNJV-UHFFFAOYSA-N
- Compound name
- 2,2,3-trimethylbutanal
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 115.11174 | 124.0 |
[M+Na]+ | 137.09368 | 131.4 |
[M-H]- | 113.09718 | 124.7 |
[M+NH4]+ | 132.13828 | 147.1 |
[M+K]+ | 153.06762 | 131.8 |
[M+H-H2O]+ | 97.101720 | 120.5 |
[M+HCOO]- | 159.10266 | 145.5 |
[M+CH3COO]- | 173.11831 | 172.5 |
[M+Na-2H]- | 135.07913 | 130.2 |
[M]+ | 114.10391 | 125.4 |
[M]- | 114.10501 | 125.4 |