CID 53993702
3-methylcrotonyl l-carnitine
Structural Information
- Molecular Formula
- C12H22NO4
- SMILES
- CC(=CC(=O)OC(CC(=O)O)C[N+](C)(C)C)C
- InChI
- InChI=1S/C12H21NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/p+1
- InChIKey
- KGPNNIOVWVIXOR-UHFFFAOYSA-O
- Compound name
- [3-carboxy-2-(3-methylbut-2-enoyloxy)propyl]-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 245.16216 | 154.4 |
[M+Na]+ | 267.14410 | 158.8 |
[M-H]- | 243.14760 | 154.5 |
[M+NH4]+ | 262.18870 | 171.5 |
[M+K]+ | 283.11804 | 153.7 |
[M+H-H2O]+ | 227.15214 | 152.3 |
[M+HCOO]- | 289.15308 | 173.0 |
[M+CH3COO]- | 303.16873 | 190.0 |
[M+Na-2H]- | 265.12955 | 157.4 |
[M]+ | 244.15433 | 155.7 |
[M]- | 244.15543 | 155.7 |
Literature stripe
No literature data available for this compound.