CID 2723704

N-methylthiourea

Structural Information

Molecular Formula
C2H6N2S
SMILES
CNC(=S)N
InChI
InChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)
InChIKey
KQJQICVXLJTWQD-UHFFFAOYSA-N
Compound name
methylthiourea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

44
References

8914
Patents

90.02517 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.032446 114.5
[M+Na]+ 113.014388 121.8
[M-H]- 89.017894 115.0
[M+NH4]+ 108.058993 137.7
[M+K]+ 128.988328 120.6
[M+H-H2O]+ 73.022430 109.6
[M+HCOO]- 135.023371 134.3
[M+CH3COO]- 149.039021 167.1
[M+Na-2H]- 110.999836 118.2
[M]+ 90.02462142 112.1
[M]- 90.02571858 112.1
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