CID 165604795

2174008-25-2

Structural Information

Molecular Formula
C10H16N4O
SMILES
CC1=NC=CC(=N1)N[C@@H]2COCC[C@@H]2N
InChI
InChI=1S/C10H16N4O/c1-7-12-4-2-10(13-7)14-9-6-15-5-3-8(9)11/h2,4,8-9H,3,5-6,11H2,1H3,(H,12,13,14)/t8-,9+/m0/s1
InChIKey
IUXNLXKJGSESMD-DTWKUNHWSA-N
Compound name
(3S,4S)-3-N-(2-methylpyrimidin-4-yl)oxane-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 148.0
[M+Na]+ 231.121638 153.7
[M-H]- 207.125144 151.8
[M+NH4]+ 226.166243 161.9
[M+K]+ 247.095578 151.8
[M+H-H2O]+ 191.129680 138.9
[M+HCOO]- 253.130621 167.5
[M+CH3COO]- 267.146271 190.0
[M+Na-2H]- 229.107086 154.3
[M]+ 208.13187142 142.9
[M]- 208.13296858 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.