CID 122377369
1,3-dioxoisoindolin-2-yl 1-methylcyclohexane-1-carboxylate
Structural Information
- Molecular Formula
- C16H17NO4
- SMILES
- CC1(CCCCC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
- InChI
- InChI=1S/C16H17NO4/c1-16(9-5-2-6-10-16)15(20)21-17-13(18)11-7-3-4-8-12(11)14(17)19/h3-4,7-8H,2,5-6,9-10H2,1H3
- InChIKey
- PHXBFYQKFSVMCN-UHFFFAOYSA-N
- Compound name
- (1,3-dioxoisoindol-2-yl) 1-methylcyclohexane-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 288.12303 | 164.7 |
[M+Na]+ | 310.10497 | 171.6 |
[M-H]- | 286.10847 | 170.6 |
[M+NH4]+ | 305.14957 | 183.4 |
[M+K]+ | 326.07891 | 168.6 |
[M+H-H2O]+ | 270.11301 | 157.5 |
[M+HCOO]- | 332.11395 | 182.2 |
[M+CH3COO]- | 346.12960 | 198.7 |
[M+Na-2H]- | 308.09042 | 166.2 |
[M]+ | 287.11520 | 163.2 |
[M]- | 287.11630 | 163.2 |