CID 292869

2-amino-2-methyl-1-propanol hydrogen sulfate

Structural Information

Molecular Formula
C4H11NO4S
SMILES
CC(C)(COS(=O)(=O)O)N
InChI
InChI=1S/C4H11NO4S/c1-4(2,5)3-9-10(6,7)8/h3,5H2,1-2H3,(H,6,7,8)
InChIKey
RGXZRDJYNDJZBY-UHFFFAOYSA-N
Compound name
(2-amino-2-methylpropyl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

169.04088 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.04816 132.8
[M+Na]+ 192.03010 140.2
[M-H]- 168.03360 131.6
[M+NH4]+ 187.07470 152.3
[M+K]+ 208.00404 139.2
[M+H-H2O]+ 152.03814 128.5
[M+HCOO]- 214.03908 148.7
[M+CH3COO]- 228.05473 173.7
[M+Na-2H]- 190.01555 137.9
[M]+ 169.04033 134.8
[M]- 169.04143 134.8
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