CID 3004267

Nsc641830

Structural Information

Molecular Formula
C9H15N3OS
SMILES
CC1(C(=NNC(=S)N)C(C1=O)(C)C)C
InChI
InChI=1S/C9H15N3OS/c1-8(2)5(11-12-7(10)14)9(3,4)6(8)13/h1-4H3,(H3,10,12,14)
InChIKey
DDTKMCIVLNTYAB-UHFFFAOYSA-N
Compound name
[(2,2,4,4-tetramethyl-3-oxocyclobutylidene)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.100856 148.4
[M+Na]+ 236.082798 153.5
[M-H]- 212.086304 152.6
[M+NH4]+ 231.127403 164.1
[M+K]+ 252.056738 154.6
[M+H-H2O]+ 196.090840 138.3
[M+HCOO]- 258.091781 166.2
[M+CH3COO]- 272.107431 199.1
[M+Na-2H]- 234.068246 149.7
[M]+ 213.09303142 156.7
[M]- 213.09412858 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.