CID 10057657

3-methyl-3-sulfanylbutanehydrazide

Structural Information

Molecular Formula
C5H12N2OS
SMILES
CC(C)(CC(=O)NN)S
InChI
InChI=1S/C5H12N2OS/c1-5(2,9)3-4(8)7-6/h9H,3,6H2,1-2H3,(H,7,8)
InChIKey
SRNHFGGOWAGEPZ-UHFFFAOYSA-N
Compound name
3-methyl-3-sulfanylbutanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

148.06703 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.074306 131.6
[M+Na]+ 171.056248 137.8
[M-H]- 147.059754 131.7
[M+NH4]+ 166.100853 152.5
[M+K]+ 187.030188 136.7
[M+H-H2O]+ 131.064290 126.5
[M+HCOO]- 193.065231 149.2
[M+CH3COO]- 207.080881 178.5
[M+Na-2H]- 169.041696 134.6
[M]+ 148.06648142 131.2
[M]- 148.06757858 131.2
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