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
2
Annotation Hits

44
References

6813
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 115.4
[M+Na]+ 113.01439 123.8
[M+NH4]+ 108.05899 124.1
[M+K]+ 128.98833 117.7
[M-H]- 89.017894 116.2
[M+Na-2H]- 110.99984 119.0
[M]+ 90.024621 116.9
[M]- 90.025719 116.9
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