CID 3048482

Usaf ge-11

Structural Information

Molecular Formula
C8H8N4S
SMILES
C1C=CC(=NNC2=NN=CS2)C=C1
InChI
InChI=1S/C8H8N4S/c1-2-4-7(5-3-1)10-12-8-11-9-6-13-8/h2-6H,1H2,(H,11,12)
InChIKey
OUNXRWRLPLFNGA-UHFFFAOYSA-N
Compound name
N-(cyclohexa-2,5-dien-1-ylideneamino)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04697 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.054246 136.4
[M+Na]+ 215.036188 144.5
[M-H]- 191.039694 142.1
[M+NH4]+ 210.080793 155.5
[M+K]+ 231.010128 141.5
[M+H-H2O]+ 175.044230 128.0
[M+HCOO]- 237.045171 158.3
[M+CH3COO]- 251.060821 149.8
[M+Na-2H]- 213.021636 142.4
[M]+ 192.04642142 135.9
[M]- 192.04751858 135.9
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.