CID 137698553

2059955-23-4

Structural Information

Molecular Formula
C5H13NOS
SMILES
CCC(C)S(=N)(=O)C
InChI
InChI=1S/C5H13NOS/c1-4-5(2)8(3,6)7/h5-6H,4H2,1-3H3
InChIKey
QKJIMLRHVWURPM-UHFFFAOYSA-N
Compound name
butan-2-yl-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.0718 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07908 126.7
[M+Na]+ 158.06102 134.1
[M-H]- 134.06452 127.5
[M+NH4]+ 153.10562 148.9
[M+K]+ 174.03496 132.9
[M+H-H2O]+ 118.06906 122.2
[M+HCOO]- 180.07000 144.2
[M+CH3COO]- 194.08565 174.1
[M+Na-2H]- 156.04647 130.3
[M]+ 135.07125 127.7
[M]- 135.07235 127.7
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.