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]+ 214.10086 148.4
[M+Na]+ 236.08280 153.5
[M-H]- 212.08630 152.6
[M+NH4]+ 231.12740 164.1
[M+K]+ 252.05674 154.6
[M+H-H2O]+ 196.09084 138.3
[M+HCOO]- 258.09178 166.2
[M+CH3COO]- 272.10743 199.1
[M+Na-2H]- 234.06825 149.7
[M]+ 213.09303 156.7
[M]- 213.09413 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.