CID 3037098

21185-13-7

Structural Information

Molecular Formula
C2H7N3S
SMILES
CNNC(=S)N
InChI
InChI=1S/C2H7N3S/c1-4-5-2(3)6/h4H,1H3,(H3,3,5,6)
InChIKey
JQPZTRBYIRCNAP-UHFFFAOYSA-N
Compound name
methylaminothiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

282
Patents

105.03607 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.043346 117.8
[M+Na]+ 128.025288 124.1
[M-H]- 104.028794 118.0
[M+NH4]+ 123.069893 139.9
[M+K]+ 143.999228 122.8
[M+H-H2O]+ 88.033330 112.2
[M+HCOO]- 150.034271 138.5
[M+CH3COO]- 164.049921 172.1
[M+Na-2H]- 126.010736 121.9
[M]+ 105.03552142 114.5
[M]- 105.03661858 114.5
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