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]+ 209.13970 148.0
[M+Na]+ 231.12164 153.7
[M-H]- 207.12514 151.8
[M+NH4]+ 226.16624 161.9
[M+K]+ 247.09558 151.8
[M+H-H2O]+ 191.12968 138.9
[M+HCOO]- 253.13062 167.5
[M+CH3COO]- 267.14627 190.0
[M+Na-2H]- 229.10709 154.3
[M]+ 208.13187 142.9
[M]- 208.13297 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.