CID 3767712

882878-69-5

Structural Information

Molecular Formula
C5H11NS2
SMILES
CC(C)(C)NC(=S)S
InChI
InChI=1S/C5H11NS2/c1-5(2,3)6-4(7)8/h1-3H3,(H2,6,7,8)
InChIKey
QFFINZFFTYSGSI-UHFFFAOYSA-N
Compound name
tert-butylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

149.0333 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.040576 129.6
[M+Na]+ 172.022518 136.6
[M-H]- 148.026024 130.0
[M+NH4]+ 167.067123 151.2
[M+K]+ 187.996458 133.9
[M+H-H2O]+ 132.030560 124.7
[M+HCOO]- 194.031501 140.5
[M+CH3COO]- 208.047151 176.7
[M+Na-2H]- 170.007966 130.7
[M]+ 149.03275142 130.2
[M]- 149.03384858 130.2
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