CID 487243

4-aminoheptanedioic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO4
SMILES
C(CC(=O)O)C(CCC(=O)O)N
InChI
InChI=1S/C7H13NO4/c8-5(1-3-6(9)10)2-4-7(11)12/h5H,1-4,8H2,(H,9,10)(H,11,12)
InChIKey
DMAJAXIBHLWSQM-UHFFFAOYSA-N
Compound name
4-aminoheptanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

175.08446 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 138.6
[M+Na]+ 198.07368 144.4
[M+NH4]+ 193.11828 143.1
[M+K]+ 214.04762 142.9
[M-H]- 174.07718 134.8
[M+Na-2H]- 196.05913 138.2
[M]+ 175.08391 137.6
[M]- 175.08501 137.6
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

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