CID 207030

1-piperazinecarbamic acid, 4-methyldithio-

Structural Information

Molecular Formula
C6H13N3O2S2
SMILES
CSSN1CCN(CC1)NC(=O)O
InChI
InChI=1S/C6H13N3O2S2/c1-12-13-9-4-2-8(3-5-9)7-6(10)11/h7H,2-5H2,1H3,(H,10,11)
InChIKey
IAVFNJSIGBTHEW-UHFFFAOYSA-N
Compound name
[4-(methyldisulfanyl)piperazin-1-yl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04492 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05220 143.9
[M+Na]+ 246.03414 149.0
[M-H]- 222.03764 142.3
[M+NH4]+ 241.07874 158.9
[M+K]+ 262.00808 145.3
[M+H-H2O]+ 206.04218 137.2
[M+HCOO]- 268.04312 150.5
[M+CH3COO]- 282.05877 184.3
[M+Na-2H]- 244.01959 143.8
[M]+ 223.04437 141.6
[M]- 223.04547 141.6
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.