CID 57282853

5-aminononanedioic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO4
SMILES
C(CC(CCCC(=O)O)N)CC(=O)O
InChI
InChI=1S/C9H17NO4/c10-7(3-1-5-8(11)12)4-2-6-9(13)14/h7H,1-6,10H2,(H,11,12)(H,13,14)
InChIKey
ITINVSAWGGQAOZ-UHFFFAOYSA-N
Compound name
5-aminononanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

203.11575 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 148.1
[M+Na]+ 226.10497 152.0
[M-H]- 202.10847 144.4
[M+NH4]+ 221.14957 164.7
[M+K]+ 242.07891 150.9
[M+H-H2O]+ 186.11301 142.5
[M+HCOO]- 248.11395 166.5
[M+CH3COO]- 262.12960 184.3
[M+Na-2H]- 224.09042 147.7
[M]+ 203.11520 147.1
[M]- 203.11630 147.1
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