CID 441234
(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- CC1=CC(=O)C(C1(C)C)CC(=O)O
- InChI
- InChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)
- InChIKey
- UJJNLVMCZZZXFW-UHFFFAOYSA-N
- Compound name
- 2-(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 139.5 |
[M+Na]+ | 205.08352 | 149.3 |
[M+NH4]+ | 200.12812 | 147.9 |
[M+K]+ | 221.05746 | 144.9 |
[M-H]- | 181.08702 | 139.1 |
[M+Na-2H]- | 203.06897 | 143.6 |
[M]+ | 182.09375 | 140.6 |
[M]- | 182.09485 | 140.6 |