CID 9631647

83490-20-4

Structural Information

Molecular Formula
C4H9N3S
SMILES
CN(C)/C=N/C(=S)N
InChI
InChI=1S/C4H9N3S/c1-7(2)3-6-4(5)8/h3H,1-2H3,(H2,5,8)/b6-3+
InChIKey
OYLKAJRZGTZKKB-ZZXKWVIFSA-N
Compound name
(E)-dimethylaminomethylidenethiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

131.05171 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.05899 126.4
[M+Na]+ 154.04093 132.8
[M-H]- 130.04443 129.4
[M+NH4]+ 149.08553 148.9
[M+K]+ 170.01487 132.8
[M+H-H2O]+ 114.04897 120.2
[M+HCOO]- 176.04991 148.6
[M+CH3COO]- 190.06556 182.6
[M+Na-2H]- 152.02638 129.2
[M]+ 131.05116 126.3
[M]- 131.05226 126.3
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