CID 98985

1-amino-2-propanol, monosulfate ester

Structural Information

Molecular Formula
C3H9NO4S
SMILES
CC(CN)OS(=O)(=O)O
InChI
InChI=1S/C3H9NO4S/c1-3(2-4)8-9(5,6)7/h3H,2,4H2,1H3,(H,5,6,7)
InChIKey
FUJGHFAISHTYGC-UHFFFAOYSA-N
Compound name
1-aminopropan-2-yl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
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 128.0
[M+Na]+ 178.01444 135.3
[M-H]- 154.01794 126.8
[M+NH4]+ 173.05904 148.0
[M+K]+ 193.98838 134.5
[M+H-H2O]+ 138.02248 123.4
[M+HCOO]- 200.02342 144.7
[M+CH3COO]- 214.03907 171.1
[M+Na-2H]- 175.99989 131.5
[M]+ 155.02467 129.5
[M]- 155.02577 129.5
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