CID 3033597

73816-39-4

Structural Information

Molecular Formula
C10H18N6S2
SMILES
CC1(C(=NNC(=S)N)C(C1=NNC(=S)N)(C)C)C
InChI
InChI=1S/C10H18N6S2/c1-9(2)5(13-15-7(11)17)10(3,4)6(9)14-16-8(12)18/h1-4H3,(H3,11,15,17)(H3,12,16,18)
InChIKey
KSUFJHSFYCATLI-UHFFFAOYSA-N
Compound name
[[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.10342 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11070 166.8
[M+Na]+ 309.09264 167.0
[M-H]- 285.09614 169.0
[M+NH4]+ 304.13724 177.6
[M+K]+ 325.06658 166.6
[M+H-H2O]+ 269.10068 152.6
[M+HCOO]- 331.10162 179.0
[M+CH3COO]- 345.11727 219.8
[M+Na-2H]- 307.07809 165.7
[M]+ 286.10287 170.7
[M]- 286.10397 170.7
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.