CID 6604820

Acpt-ii

Structural Information

Molecular Formula
C8H11NO6
SMILES
C1[C@H]([C@H](CC1(C(=O)O)N)C(=O)O)C(=O)O
InChI
InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8?
InChIKey
FERIKTBTNCSGJS-OBLUMXEWSA-N
Compound name
(1S,2R)-4-aminocyclopentane-1,2,4-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

446
Patents

217.05864 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06592 143.1
[M+Na]+ 240.04786 148.8
[M-H]- 216.05136 142.3
[M+NH4]+ 235.09246 162.1
[M+K]+ 256.02180 148.0
[M+H-H2O]+ 200.05590 139.6
[M+HCOO]- 262.05684 160.3
[M+CH3COO]- 276.07249 181.3
[M+Na-2H]- 238.03331 142.4
[M]+ 217.05809 138.8
[M]- 217.05919 138.8
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