CID 4738851

2-(3-aminopropyl)propanedioic acid hydrochloride

Structural Information

Molecular Formula
C6H11NO4
SMILES
C(CC(C(=O)O)C(=O)O)CN
InChI
InChI=1S/C6H11NO4/c7-3-1-2-4(5(8)9)6(10)11/h4H,1-3,7H2,(H,8,9)(H,10,11)
InChIKey
RENPTINIWHSECZ-UHFFFAOYSA-N
Compound name
2-(3-aminopropyl)propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

161.0688 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.076076 134.4
[M+Na]+ 184.058018 139.6
[M-H]- 160.061524 131.3
[M+NH4]+ 179.102623 152.7
[M+K]+ 200.031958 139.2
[M+H-H2O]+ 144.066060 129.4
[M+HCOO]- 206.067001 153.8
[M+CH3COO]- 220.082651 175.2
[M+Na-2H]- 182.043466 135.6
[M]+ 161.06825142 132.3
[M]- 161.06934858 132.3
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