CID 5165810

Methyl 2-(3,4-dihydro-2h-pyrrol-5-yl)hydrazinecarbodithioate

Structural Information

Molecular Formula
C6H11N3S2
SMILES
CSC(=S)NNC1=NCCC1
InChI
InChI=1S/C6H11N3S2/c1-11-6(10)9-8-5-3-2-4-7-5/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKey
LEJLQAQMURAZOV-UHFFFAOYSA-N
Compound name
methyl N-(3,4-dihydro-2H-pyrrol-5-ylamino)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

189.03944 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04672 138.1
[M+Na]+ 212.02866 145.0
[M-H]- 188.03216 140.1
[M+NH4]+ 207.07326 158.4
[M+K]+ 228.00260 141.5
[M+H-H2O]+ 172.03670 131.6
[M+HCOO]- 234.03764 151.5
[M+CH3COO]- 248.05329 181.1
[M+Na-2H]- 210.01411 138.6
[M]+ 189.03889 136.7
[M]- 189.03999 136.7
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

No patent data available for this compound.