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]+ 147.058666 136.0
[M+Na]+ 169.040608 144.9
[M-H]- 145.044114 136.4
[M+NH4]+ 164.085213 155.0
[M+K]+ 185.014548 143.2
[M+H-H2O]+ 129.048650 125.1
[M+HCOO]- 191.049591 150.0
[M+CH3COO]- 205.065241 185.2
[M+Na-2H]- 167.026056 139.8
[M]+ 146.05084142 130.8
[M]- 146.05193858 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.