CID 3048366

Zinc allyl dithio carbamate

Structural Information

Molecular Formula
C4H7NS2
SMILES
C=CCNC(=S)S
InChI
InChI=1S/C4H7NS2/c1-2-3-5-4(6)7/h2H,1,3H2,(H2,5,6,7)
InChIKey
UTNGOTDJKTYZDV-UHFFFAOYSA-N
Compound name
prop-2-enylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

637
Patents

133.002 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.00928 123.2
[M+Na]+ 155.99122 130.5
[M-H]- 131.99472 123.6
[M+NH4]+ 151.03582 145.2
[M+K]+ 171.96516 127.1
[M+H-H2O]+ 115.99926 118.1
[M+HCOO]- 178.00020 136.0
[M+CH3COO]- 192.01585 173.2
[M+Na-2H]- 153.97667 124.1
[M]+ 133.00145 123.3
[M]- 133.00255 123.3
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