CID 146082077

2408964-48-5

Structural Information

Molecular Formula
C5H10N2OS
SMILES
CS(=N)(=O)NCCC#C
InChI
InChI=1S/C5H10N2OS/c1-3-4-5-7-9(2,6)8/h1H,4-5H2,2H3,(H2,6,7,8)
InChIKey
GWLOXRZSJUBGHA-UHFFFAOYSA-N
Compound name
N-(methylsulfonimidoyl)but-3-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.05139 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05867 136.0
[M+Na]+ 169.04061 144.9
[M-H]- 145.04411 136.4
[M+NH4]+ 164.08521 155.0
[M+K]+ 185.01455 143.2
[M+H-H2O]+ 129.04865 125.1
[M+HCOO]- 191.04959 150.0
[M+CH3COO]- 205.06524 185.2
[M+Na-2H]- 167.02606 139.8
[M]+ 146.05084 130.8
[M]- 146.05194 130.8
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

No patent data available for this compound.