CID 5142

Methyl carbamimidothioate

Structural Information

Molecular Formula
C2H6N2S
SMILES
CSC(=N)N
InChI
InChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)
InChIKey
SDDKIZNHOCEXTF-UHFFFAOYSA-N
Compound name
methyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

298
References

6855
Patents

90.02517 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.032446 114.5
[M+Na]+ 113.01439 121.8
[M-H]- 89.017894 115.0
[M+NH4]+ 108.05899 137.7
[M+K]+ 128.98833 120.6
[M+H-H2O]+ 73.022430 109.6
[M+HCOO]- 135.02337 134.3
[M+CH3COO]- 149.03902 167.1
[M+Na-2H]- 110.99984 118.2
[M]+ 90.024621 112.1
[M]- 90.025719 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