CID 1268102

26774-88-9

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1C=CCC(=C1)[C@H](C(=O)O)N
InChI
InChI=1S/C8H11NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)/t7-/m1/s1
InChIKey
JBJJTCGQCRGNOL-SSDOTTSWSA-N
Compound name
(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

456
Patents

153.07898 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 132.1
[M+Na]+ 176.06820 141.7
[M+NH4]+ 171.11280 139.8
[M+K]+ 192.04214 137.5
[M-H]- 152.07170 133.2
[M+Na-2H]- 174.05365 137.1
[M]+ 153.07843 133.4
[M]- 153.07953 133.4
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