CID 3019809

5-methyl-1h-imidazole-4-carbodithioic acid

Structural Information

Molecular Formula
C5H6N2S2
SMILES
CC1=C(N=CN1)C(=S)S
InChI
InChI=1S/C5H6N2S2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChIKey
FWWVSTJJEPANBO-UHFFFAOYSA-N
Compound name
5-methyl-1H-imidazole-4-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

157.99724 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.004516 127.8
[M+Na]+ 180.986458 138.4
[M-H]- 156.989964 128.4
[M+NH4]+ 176.031063 148.4
[M+K]+ 196.960398 134.4
[M+H-H2O]+ 140.994500 122.5
[M+HCOO]- 202.995441 138.6
[M+CH3COO]- 217.011091 172.2
[M+Na-2H]- 178.971906 127.1
[M]+ 157.99669142 128.5
[M]- 157.99778858 128.5
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

patents stripe