CID 14677075

1423026-04-3

Structural Information

Molecular Formula
C5H13NO2S
SMILES
CCS(=O)(=O)CCNC
InChI
InChI=1S/C5H13NO2S/c1-3-9(7,8)5-4-6-2/h6H,3-5H2,1-2H3
InChIKey
WJOGIHFXCMFNRM-UHFFFAOYSA-N
Compound name
2-ethylsulfonyl-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

151.0667 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.073976 130.0
[M+Na]+ 174.055918 137.6
[M-H]- 150.059424 130.7
[M+NH4]+ 169.100523 151.5
[M+K]+ 190.029858 136.3
[M+H-H2O]+ 134.063960 125.3
[M+HCOO]- 196.064901 148.8
[M+CH3COO]- 210.080551 175.3
[M+Na-2H]- 172.041366 134.9
[M]+ 151.06615142 133.0
[M]- 151.06724858 133.0
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

patents stripe