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

36
Patents

134.015 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.022276 131.3
[M+Na]+ 157.004218 140.8
[M-H]- 133.007724 131.4
[M+NH4]+ 152.048823 150.3
[M+K]+ 172.978158 139.7
[M+H-H2O]+ 117.012260 120.5
[M+HCOO]- 179.013201 145.5
[M+CH3COO]- 193.028851 181.0
[M+Na-2H]- 154.989666 135.1
[M]+ 134.01445142 125.8
[M]- 134.01554858 125.8
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