CID 10261647

2173996-60-4

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CCC2=NC(=CN=C2C1)C(=O)O
InChI
InChI=1S/C9H10N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h5H,1-4H2,(H,12,13)
InChIKey
SUKYBRCVFBSTNM-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroquinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

178.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 136.2
[M+Na]+ 201.063448 143.4
[M-H]- 177.066954 136.3
[M+NH4]+ 196.108053 153.7
[M+K]+ 217.037388 140.9
[M+H-H2O]+ 161.071490 128.9
[M+HCOO]- 223.072431 153.2
[M+CH3COO]- 237.088081 177.4
[M+Na-2H]- 199.048896 143.4
[M]+ 178.07368142 133.1
[M]- 178.07477858 133.1
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

patents stripe