CID 11829361

(2s)-2,3-diaminopropan-1-ol dihydrochloride

Structural Information

Molecular Formula
C3H10N2O
SMILES
C([C@@H](CO)N)N
InChI
InChI=1S/C3H10N2O/c4-1-3(5)2-6/h3,6H,1-2,4-5H2/t3-/m0/s1
InChIKey
QHBWSLQUJMHGDB-VKHMYHEASA-N
Compound name
(2S)-2,3-diaminopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

90.079315 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.086591 117.9
[M+Na]+ 113.068533 124.0
[M-H]- 89.072039 116.1
[M+NH4]+ 108.113138 139.6
[M+K]+ 129.042473 123.7
[M+H-H2O]+ 73.076575 113.2
[M+HCOO]- 135.077516 141.1
[M+CH3COO]- 149.093166 166.7
[M+Na-2H]- 111.053981 122.9
[M]+ 90.07876642 113.1
[M]- 90.07986358 113.1
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