CID 3765

Isoguvacine

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CNCC=C1C(=O)O
InChI
InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)
InChIKey
KRVDMABBKYMBHG-UHFFFAOYSA-N
Compound name
1,2,3,6-tetrahydropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

238
References

1443
Patents

127.06333 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 125.2
[M+Na]+ 150.05255 130.9
[M-H]- 126.05605 124.3
[M+NH4]+ 145.09715 144.2
[M+K]+ 166.02649 129.2
[M+H-H2O]+ 110.06059 119.6
[M+HCOO]- 172.06153 143.2
[M+CH3COO]- 186.07718 164.3
[M+Na-2H]- 148.03800 130.8
[M]+ 127.06278 119.4
[M]- 127.06388 119.4
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