CID 104766

(1s,3r)-acpd

Structural Information

Molecular Formula
C7H11NO4
SMILES
C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N
InChI
InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
InChIKey
YFYNOWXBIBKGHB-FBCQKBJTSA-N
Compound name
(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

960
References

1682
Patents

173.0688 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 135.4
[M+Na]+ 196.05802 141.4
[M-H]- 172.06152 135.8
[M+NH4]+ 191.10262 157.0
[M+K]+ 212.03196 140.3
[M+H-H2O]+ 156.06606 131.6
[M+HCOO]- 218.06700 154.9
[M+CH3COO]- 232.08265 174.3
[M+Na-2H]- 194.04347 137.1
[M]+ 173.06825 130.6
[M]- 173.06935 130.6
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