CID 3034190

2-methyl-3-thiosemicarbazide

Structural Information

Molecular Formula
C2H7N3S
SMILES
CN(C(=S)N)N
InChI
InChI=1S/C2H7N3S/c1-5(4)2(3)6/h4H2,1H3,(H2,3,6)
InChIKey
IIGQLQZSWDUOBI-UHFFFAOYSA-N
Compound name
1-amino-1-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

502
Patents

105.03607 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.04335 118.8
[M+Na]+ 128.02529 125.2
[M-H]- 104.02879 120.0
[M+NH4]+ 123.06989 141.3
[M+K]+ 143.99923 125.0
[M+H-H2O]+ 88.033330 113.0
[M+HCOO]- 150.03427 139.2
[M+CH3COO]- 164.04992 174.9
[M+Na-2H]- 126.01074 121.0
[M]+ 105.03552 115.7
[M]- 105.03662 115.7
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