CID 495170

Nsc645091

Structural Information

Molecular Formula
C10H17N5O6
SMILES
CCOC(=O)CNC1=NN=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H17N5O6/c1-2-20-6(17)3-11-10-12-13-14-15(10)9-8(19)7(18)5(4-16)21-9/h5,7-9,16,18-19H,2-4H2,1H3,(H,11,12,14)/t5-,7-,8-,9-/m1/s1
InChIKey
VJYDCIQASGUGEE-ZOQUXTDFSA-N
Compound name
ethyl 2-[[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]tetrazol-5-yl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1179 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12518 165.2
[M+Na]+ 326.10712 171.4
[M-H]- 302.11062 164.4
[M+NH4]+ 321.15172 174.6
[M+K]+ 342.08106 170.8
[M+H-H2O]+ 286.11516 156.8
[M+HCOO]- 348.11610 180.1
[M+CH3COO]- 362.13175 197.6
[M+Na-2H]- 324.09257 164.4
[M]+ 303.11735 166.5
[M]- 303.11845 166.5
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.