CID 3035110

L-glucosethiourea

Structural Information

Molecular Formula
C7H14N2O5S
SMILES
C(C1[C@@H]([C@H]([C@@H](C(O1)NC(=S)N)O)O)O)O
InChI
InChI=1S/C7H14N2O5S/c8-7(15)9-6-5(13)4(12)3(11)2(1-10)14-6/h2-6,10-13H,1H2,(H3,8,9,15)/t2?,3-,4+,5-,6?/m0/s1
InChIKey
NFLXFOWCDDYFIR-CQGHMCOMSA-N
Compound name
[(3S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.06235 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06963 150.1
[M+Na]+ 261.05157 154.5
[M-H]- 237.05507 148.1
[M+NH4]+ 256.09617 163.2
[M+K]+ 277.02551 151.9
[M+H-H2O]+ 221.05961 144.4
[M+HCOO]- 283.06055 159.9
[M+CH3COO]- 297.07620 186.0
[M+Na-2H]- 259.03702 148.7
[M]+ 238.06180 145.0
[M]- 238.06290 145.0
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

patents stripe