CID 21045363

1085526-21-1

Structural Information

Molecular Formula
C5H13NOS
SMILES
CC(C)(C)S(=N)(=O)C
InChI
InChI=1S/C5H13NOS/c1-5(2,3)8(4,6)7/h6H,1-4H3
InChIKey
ZJUMQDAODKLMFI-UHFFFAOYSA-N
Compound name
tert-butyl-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

135.0718 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07908 126.9
[M+Na]+ 158.06102 135.0
[M-H]- 134.06452 127.9
[M+NH4]+ 153.10562 149.3
[M+K]+ 174.03496 133.7
[M+H-H2O]+ 118.06906 123.0
[M+HCOO]- 180.07000 143.9
[M+CH3COO]- 194.08565 173.0
[M+Na-2H]- 156.04647 132.4
[M]+ 135.07125 127.9
[M]- 135.07235 127.9
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