CID 765378

72269-92-2

Structural Information

Molecular Formula
C8H16N4S
SMILES
CC(C)N(C1=NN=C(S1)N)C(C)C
InChI
InChI=1S/C8H16N4S/c1-5(2)12(6(3)4)8-11-10-7(9)13-8/h5-6H,1-4H3,(H2,9,10)
InChIKey
NMKUIHQPXZUGIB-UHFFFAOYSA-N
Compound name
2-N,2-N-di(propan-2-yl)-1,3,4-thiadiazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

71
Patents

200.10957 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.116846 145.0
[M+Na]+ 223.098788 152.0
[M-H]- 199.102294 147.5
[M+NH4]+ 218.143393 164.0
[M+K]+ 239.072728 151.4
[M+H-H2O]+ 183.106830 137.4
[M+HCOO]- 245.107771 162.5
[M+CH3COO]- 259.123421 193.0
[M+Na-2H]- 221.084236 144.3
[M]+ 200.10902142 146.5
[M]- 200.11011858 146.5
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