CID 4225967

1,3-diaminopropan-2-yl hydrogen sulfate

Structural Information

Molecular Formula
C3H10N2O4S
SMILES
C(C(CN)OS(=O)(=O)O)N
InChI
InChI=1S/C3H10N2O4S/c4-1-3(2-5)9-10(6,7)8/h3H,1-2,4-5H2,(H,6,7,8)
InChIKey
KLCWIGDXSBMZPV-UHFFFAOYSA-N
Compound name
1,3-diaminopropan-2-yl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

170.03613 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04341 131.3
[M+Na]+ 193.02535 137.5
[M-H]- 169.02885 129.2
[M+NH4]+ 188.06995 149.8
[M+K]+ 208.99929 136.2
[M+H-H2O]+ 153.03339 125.9
[M+HCOO]- 215.03433 148.2
[M+CH3COO]- 229.04998 175.7
[M+Na-2H]- 191.01080 134.1
[M]+ 170.03558 130.8
[M]- 170.03668 130.8
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