CID 3085276
Trimethylolpropane tris(3-aziridinyl-2-methylpropanoate)
Structural Information
- Molecular Formula
- C24H41N3O6
- SMILES
- CCC(COC(=O)[C@H](C)CN1CC1)(COC(=O)[C@H](C)CN2CC2)COC(=O)[C@H](C)CN3CC3
- InChI
- InChI=1S/C24H41N3O6/c1-5-24(15-31-21(28)18(2)12-25-6-7-25,16-32-22(29)19(3)13-26-8-9-26)17-33-23(30)20(4)14-27-10-11-27/h18-20H,5-17H2,1-4H3/t18-,19-,20-/m1/s1
- InChIKey
- AQYCJIBMNCSKNS-VAMGGRTRSA-N
- Compound name
- 2,2-bis[[(2R)-3-(aziridin-1-yl)-2-methylpropanoyl]oxymethyl]butyl (2R)-3-(aziridin-1-yl)-2-methylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 468.30681 | 223.4 |
[M+Na]+ | 490.28875 | 221.8 |
[M-H]- | 466.29225 | 225.8 |
[M+NH4]+ | 485.33335 | 214.7 |
[M+K]+ | 506.26269 | 218.9 |
[M+H-H2O]+ | 450.29679 | 217.6 |
[M+HCOO]- | 512.29773 | 229.2 |
[M+CH3COO]- | 526.31338 | 242.6 |
[M+Na-2H]- | 488.27420 | 214.4 |
[M]+ | 467.29898 | 231.7 |
[M]- | 467.30008 | 231.7 |
Literature stripe
No literature data available for this compound.