CID 15945880
Lp-184
Structural Information
- Molecular Formula
- C16H20N2O4
- SMILES
- CC1=C(C2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C)CN(C(=O)N)O
- InChI
- InChI=1S/C16H20N2O4/c1-8-6-10-12(11(8)7-18(22)14(17)20)9(2)16(4-5-16)15(3,21)13(10)19/h6,21-22H,4-5,7H2,1-3H3,(H2,17,20)/t15-/m0/s1
- InChIKey
- VWMPVAZEBAKLFR-HNNXBMFYSA-N
- Compound name
- 1-hydroxy-1-[[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]methyl]urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 305.14958 | 163.8 |
[M+Na]+ | 327.13152 | 174.6 |
[M-H]- | 303.13502 | 170.3 |
[M+NH4]+ | 322.17612 | 180.3 |
[M+K]+ | 343.10546 | 170.8 |
[M+H-H2O]+ | 287.13956 | 161.4 |
[M+HCOO]- | 349.14050 | 183.0 |
[M+CH3COO]- | 363.15615 | 211.5 |
[M+Na-2H]- | 325.11697 | 166.2 |
[M]+ | 304.14175 | 168.4 |
[M]- | 304.14285 | 168.4 |