CID 107164

2-aminononanedioic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

203.11575 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.123026 148.1
[M+Na]+ 226.104968 152.0
[M-H]- 202.108474 144.4
[M+NH4]+ 221.149573 164.7
[M+K]+ 242.078908 150.9
[M+H-H2O]+ 186.113010 142.5
[M+HCOO]- 248.113951 166.5
[M+CH3COO]- 262.129601 184.3
[M+Na-2H]- 224.090416 147.7
[M]+ 203.11520142 147.1
[M]- 203.11629858 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