CID 1194

2756-89-0

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CCN=C(C1)C(=O)O
InChI
InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9)
InChIKey
GEJXSVNGWOSZPC-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydropyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

128
Patents

127.06333 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 124.3
[M+Na]+ 150.052548 130.5
[M-H]- 126.056054 124.8
[M+NH4]+ 145.097153 144.1
[M+K]+ 166.026488 129.7
[M+H-H2O]+ 110.060590 118.4
[M+HCOO]- 172.061531 143.8
[M+CH3COO]- 186.077181 166.9
[M+Na-2H]- 148.037996 130.5
[M]+ 127.06278142 120.4
[M]- 127.06387858 120.4
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