CID 387081

176738-98-0

Structural Information

Molecular Formula
C10H17NO6
SMILES
C(CC(CCC(=O)O)(CCC(=O)O)N)C(=O)O
InChI
InChI=1S/C10H17NO6/c11-10(4-1-7(12)13,5-2-8(14)15)6-3-9(16)17/h1-6,11H2,(H,12,13)(H,14,15)(H,16,17)
InChIKey
UOPIUZMVWLTGPP-UHFFFAOYSA-N
Compound name
4-amino-4-(2-carboxyethyl)heptanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

247.10559 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11287 154.8
[M+Na]+ 270.09481 158.3
[M-H]- 246.09831 149.8
[M+NH4]+ 265.13941 168.8
[M+K]+ 286.06875 157.3
[M+H-H2O]+ 230.10285 149.6
[M+HCOO]- 292.10379 170.6
[M+CH3COO]- 306.11944 188.9
[M+Na-2H]- 268.08026 154.8
[M]+ 247.10504 154.1
[M]- 247.10614 154.1
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