CID 213056

Eglumegad

Structural Information

Molecular Formula
C8H11NO4
SMILES
C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N
InChI
InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
InChIKey
VTAARTQTOOYTES-RGDLXGNYSA-N
Compound name
(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

205
References

426
Patents

185.0688 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 135.0
[M+Na]+ 208.05802 144.4
[M-H]- 184.06152 137.6
[M+NH4]+ 203.10262 152.7
[M+K]+ 224.03196 141.0
[M+H-H2O]+ 168.06606 132.2
[M+HCOO]- 230.06700 153.4
[M+CH3COO]- 244.08265 182.1
[M+Na-2H]- 206.04347 138.0
[M]+ 185.06825 135.5
[M]- 185.06935 135.5
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

No patent data available for this compound.