CID 3034722

N,n'-bis(methoxymethyl)thiourea

Structural Information

Molecular Formula
C5H12N2O2S
SMILES
COCNC(=S)NCOC
InChI
InChI=1S/C5H12N2O2S/c1-8-3-6-5(10)7-4-9-2/h3-4H2,1-2H3,(H2,6,7,10)
InChIKey
HMIFTYSOZMSIFK-UHFFFAOYSA-N
Compound name
1,3-bis(methoxymethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

164.06195 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06923 133.8
[M+Na]+ 187.05117 139.6
[M-H]- 163.05467 134.1
[M+NH4]+ 182.09577 154.3
[M+K]+ 203.02511 138.9
[M+H-H2O]+ 147.05921 127.9
[M+HCOO]- 209.06015 153.9
[M+CH3COO]- 223.07580 180.2
[M+Na-2H]- 185.03662 137.3
[M]+ 164.06140 136.3
[M]- 164.06250 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe