CID 3034720

Thiourea, n-(methoxymethyl)-

Structural Information

Molecular Formula
C3H8N2OS
SMILES
COCNC(=S)N
InChI
InChI=1S/C3H8N2OS/c1-6-2-5-3(4)7/h2H2,1H3,(H3,4,5,7)
InChIKey
VHHBCZRHMHRNTP-UHFFFAOYSA-N
Compound name
methoxymethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

120.035736 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.043012 122.1
[M+Na]+ 143.024954 128.8
[M-H]- 119.028460 122.2
[M+NH4]+ 138.069559 144.0
[M+K]+ 158.998894 127.8
[M+H-H2O]+ 103.032996 116.7
[M+HCOO]- 165.033937 141.8
[M+CH3COO]- 179.049587 172.1
[M+Na-2H]- 141.010402 125.3
[M]+ 120.03518742 121.5
[M]- 120.03628458 121.5
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

patents stripe