CID 6451666

2,5-diisopropyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C8H14N2S
SMILES
CC(C)C1=NN=C(S1)C(C)C
InChI
InChI=1S/C8H14N2S/c1-5(2)7-9-10-8(11-7)6(3)4/h5-6H,1-4H3
InChIKey
OSNBUGBUMPTDKE-UHFFFAOYSA-N
Compound name
2,5-di(propan-2-yl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

282
Patents

170.08777 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.095046 136.4
[M+Na]+ 193.076988 145.2
[M-H]- 169.080494 138.1
[M+NH4]+ 188.121593 157.1
[M+K]+ 209.050928 143.9
[M+H-H2O]+ 153.085030 130.0
[M+HCOO]- 215.085971 152.2
[M+CH3COO]- 229.101621 180.6
[M+Na-2H]- 191.062436 136.1
[M]+ 170.08722142 139.2
[M]- 170.08831858 139.2
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