CID 1810735

3-amino-1-(2-methoxyethyl)thiourea

Structural Information

Molecular Formula
C4H11N3OS
SMILES
COCCNC(=S)NN
InChI
InChI=1S/C4H11N3OS/c1-8-3-2-6-4(9)7-5/h2-3,5H2,1H3,(H2,6,7,9)
InChIKey
CFDHTKSXLMMHIO-UHFFFAOYSA-N
Compound name
1-amino-3-(2-methoxyethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

149.06229 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06957 129.6
[M+Na]+ 172.05151 135.0
[M-H]- 148.05501 129.4
[M+NH4]+ 167.09611 150.0
[M+K]+ 188.02545 133.6
[M+H-H2O]+ 132.05955 123.4
[M+HCOO]- 194.06049 149.9
[M+CH3COO]- 208.07614 179.6
[M+Na-2H]- 170.03696 132.8
[M]+ 149.06174 128.4
[M]- 149.06284 128.4
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