CID 384504

1672-34-0

Structural Information

Molecular Formula
C4H6N4S2
SMILES
CSC1=NN=C(N=N1)SC
InChI
InChI=1S/C4H6N4S2/c1-9-3-5-7-4(10-2)8-6-3/h1-2H3
InChIKey
ROUDTSAXQIBBFZ-UHFFFAOYSA-N
Compound name
3,6-bis(methylsulfanyl)-1,2,4,5-tetrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

174.00339 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01067 128.4
[M+Na]+ 196.99261 139.9
[M-H]- 172.99611 127.4
[M+NH4]+ 192.03721 144.7
[M+K]+ 212.96655 135.8
[M+H-H2O]+ 157.00065 121.5
[M+HCOO]- 219.00159 138.7
[M+CH3COO]- 233.01724 141.0
[M+Na-2H]- 194.97806 132.0
[M]+ 174.00284 131.5
[M]- 174.00394 131.5
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