CID 1810725

(2-methoxyethyl)thiourea

Structural Information

Molecular Formula
C4H10N2OS
SMILES
COCCNC(=S)N
InChI
InChI=1S/C4H10N2OS/c1-7-3-2-6-4(5)8/h2-3H2,1H3,(H3,5,6,8)
InChIKey
XLJXJKHWLMYXBE-UHFFFAOYSA-N
Compound name
2-methoxyethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

134.05139 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.058666 126.5
[M+Na]+ 157.040608 132.7
[M-H]- 133.044114 126.4
[M+NH4]+ 152.085213 147.8
[M+K]+ 173.014548 131.5
[M+H-H2O]+ 117.048650 120.9
[M+HCOO]- 179.049591 145.9
[M+CH3COO]- 193.065241 175.2
[M+Na-2H]- 155.026056 129.2
[M]+ 134.05084142 126.2
[M]- 134.05193858 126.2
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