CID 87849

Ns00086656

Structural Information

Molecular Formula
C7H11NS2
SMILES
C=CCN(CC=C)C(=S)S
InChI
InChI=1S/C7H11NS2/c1-3-5-8(6-4-2)7(9)10/h3-4H,1-2,5-6H2,(H,9,10)
InChIKey
DMLWGCMTFMPHHC-UHFFFAOYSA-N
Compound name
bis(prop-2-enyl)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3331
Patents

173.0333 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04058 135.2
[M+Na]+ 196.02252 141.7
[M-H]- 172.02602 136.6
[M+NH4]+ 191.06712 156.2
[M+K]+ 211.99646 138.3
[M+H-H2O]+ 156.03056 129.4
[M+HCOO]- 218.03150 147.7
[M+CH3COO]- 232.04715 184.7
[M+Na-2H]- 194.00797 134.2
[M]+ 173.03275 137.0
[M]- 173.03385 137.0
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