CID 20454452

(prop-2-yn-1-yl)(sulfamoyl)amine

Structural Information

Molecular Formula
C3H6N2O2S
SMILES
C#CCNS(=O)(=O)N
InChI
InChI=1S/C3H6N2O2S/c1-2-3-5-8(4,6)7/h1,5H,3H2,(H2,4,6,7)
InChIKey
RRSVDORRVROYFA-UHFFFAOYSA-N
Compound name
3-(sulfamoylamino)prop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

134.015 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02228 124.1
[M+Na]+ 157.00422 131.7
[M+NH4]+ 152.04882 127.5
[M+K]+ 172.97816 124.0
[M-H]- 133.00772 115.3
[M+Na-2H]- 154.98967 124.2
[M]+ 134.01445 121.9
[M]- 134.01555 121.9
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

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