CID 22228790
3-hydroxy-1-adamantyl acrylate
Structural Information
- Molecular Formula
- C13H18O3
- SMILES
- C=CC(=O)OC12CC3CC(C1)CC(C3)(C2)O
- InChI
- InChI=1S/C13H18O3/c1-2-11(14)16-13-6-9-3-10(7-13)5-12(15,4-9)8-13/h2,9-10,15H,1,3-8H2
- InChIKey
- DKDKCSYKDZNMMA-UHFFFAOYSA-N
- Compound name
- (3-hydroxy-1-adamantyl) prop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 223.13288 | 154.0 |
[M+Na]+ | 245.11482 | 156.9 |
[M-H]- | 221.11832 | 148.1 |
[M+NH4]+ | 240.15942 | 180.1 |
[M+K]+ | 261.08876 | 153.5 |
[M+H-H2O]+ | 205.12286 | 148.3 |
[M+HCOO]- | 267.12380 | 159.2 |
[M+CH3COO]- | 281.13945 | 162.3 |
[M+Na-2H]- | 243.10027 | 164.4 |
[M]+ | 222.12505 | 154.6 |
[M]- | 222.12615 | 154.6 |