CID 135488878
2-amino-7-[2-(2-hydroxy-1-hydroxymethyl-ethylamino)-ethyl]-1,7-dihydro-purin-6-one
Structural Information
- Molecular Formula
- C10H16N6O3
- SMILES
- C1=NC2=C(N1CCNC(CO)CO)C(=O)NC(=N2)N
- InChI
- InChI=1S/C10H16N6O3/c11-10-14-8-7(9(19)15-10)16(5-13-8)2-1-12-6(3-17)4-18/h5-6,12,17-18H,1-4H2,(H3,11,14,15,19)
- InChIKey
- XYCDSKWPYZSIDU-UHFFFAOYSA-N
- Compound name
- 2-amino-7-[2-(1,3-dihydroxypropan-2-ylamino)ethyl]-1H-purin-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 269.13568 | 157.7 |
[M+Na]+ | 291.11762 | 166.3 |
[M-H]- | 267.12112 | 153.9 |
[M+NH4]+ | 286.16222 | 169.1 |
[M+K]+ | 307.09156 | 161.6 |
[M+H-H2O]+ | 251.12566 | 149.3 |
[M+HCOO]- | 313.12660 | 175.5 |
[M+CH3COO]- | 327.14225 | 195.4 |
[M+Na-2H]- | 289.10307 | 162.6 |
[M]+ | 268.12785 | 157.2 |
[M]- | 268.12895 | 157.2 |