CID 56765734

N-(but-3-yn-1-yl)methanesulfonamide

Structural Information

Molecular Formula
C5H9NO2S
SMILES
CS(=O)(=O)NCCC#C
InChI
InChI=1S/C5H9NO2S/c1-3-4-5-6-9(2,7)8/h1,6H,4-5H2,2H3
InChIKey
DXRTUFCLGMVMNY-UHFFFAOYSA-N
Compound name
N-but-3-ynylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

147.0354 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.042676 134.0
[M+Na]+ 170.024618 143.8
[M-H]- 146.028124 134.7
[M+NH4]+ 165.069223 153.4
[M+K]+ 185.998558 142.6
[M+H-H2O]+ 130.032660 123.6
[M+HCOO]- 192.033601 147.6
[M+CH3COO]- 206.049251 182.6
[M+Na-2H]- 168.010066 137.9
[M]+ 147.03485142 131.1
[M]- 147.03594858 131.1
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