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]+ 136.079076 126.7
[M+Na]+ 158.061018 134.1
[M-H]- 134.064524 127.5
[M+NH4]+ 153.105623 148.9
[M+K]+ 174.034958 132.9
[M+H-H2O]+ 118.069060 122.2
[M+HCOO]- 180.070001 144.2
[M+CH3COO]- 194.085651 174.1
[M+Na-2H]- 156.046466 130.3
[M]+ 135.07125142 127.7
[M]- 135.07234858 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.