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

68
Patents

120.035736 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04301 122.1
[M+Na]+ 143.02495 128.8
[M-H]- 119.02846 122.2
[M+NH4]+ 138.06956 144.0
[M+K]+ 158.99889 127.8
[M+H-H2O]+ 103.03300 116.7
[M+HCOO]- 165.03394 141.8
[M+CH3COO]- 179.04959 172.1
[M+Na-2H]- 141.01040 125.3
[M]+ 120.03519 121.5
[M]- 120.03628 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