CID 445478

L-2-amino-6-methylene-pimelic acid

Structural Information

Molecular Formula
C8H13NO4
SMILES
C=C(CCC[C@@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C8H13NO4/c1-5(7(10)11)3-2-4-6(9)8(12)13/h6H,1-4,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKey
SGAIRWMSXVAPOO-LURJTMIESA-N
Compound name
(2S)-2-amino-6-methylideneheptanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

187.08446 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 142.3
[M+Na]+ 210.07368 146.7
[M-H]- 186.07718 139.0
[M+NH4]+ 205.11828 159.4
[M+K]+ 226.04762 145.8
[M+H-H2O]+ 170.08172 137.1
[M+HCOO]- 232.08266 160.3
[M+CH3COO]- 246.09831 181.4
[M+Na-2H]- 208.05913 141.2
[M]+ 187.08391 139.6
[M]- 187.08501 139.6
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

patents stripe