CID 20054899

Schembl25658

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1C[C@@H]2C(=CC[C@H]1N2)C(=O)O
InChI
InChI=1S/C8H11NO2/c10-8(11)6-3-1-5-2-4-7(6)9-5/h3,5,7,9H,1-2,4H2,(H,10,11)/t5-,7-/m1/s1
InChIKey
ZAZOGAHQAWUCJK-IYSWYEEDSA-N
Compound name
(1R,5S)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1317
Patents

153.07898 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 131.9
[M+Na]+ 176.068198 138.4
[M-H]- 152.071704 130.5
[M+NH4]+ 171.112803 153.6
[M+K]+ 192.042138 135.7
[M+H-H2O]+ 136.076240 127.0
[M+HCOO]- 198.077181 148.1
[M+CH3COO]- 212.092831 170.6
[M+Na-2H]- 174.053646 136.5
[M]+ 153.07843142 127.3
[M]- 153.07952858 127.3
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