CID 12469166

Schembl9403500

Structural Information

Molecular Formula
C3H9NO4S
SMILES
CNCCOS(=O)(=O)O
InChI
InChI=1S/C3H9NO4S/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
InChIKey
QIFDCILTTXPUSC-UHFFFAOYSA-N
Compound name
2-(methylamino)ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

155.02522 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.03250 127.5
[M+Na]+ 178.01444 135.1
[M-H]- 154.01794 126.8
[M+NH4]+ 173.05904 147.8
[M+K]+ 193.98838 134.2
[M+H-H2O]+ 138.02248 122.8
[M+HCOO]- 200.02342 145.9
[M+CH3COO]- 214.03907 170.8
[M+Na-2H]- 175.99989 133.2
[M]+ 155.02467 130.7
[M]- 155.02577 130.7
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

patents stripe