CID 3532

Guvacine

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CNCC(=C1)C(=O)O
InChI
InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)
InChIKey
QTDZOWFRBNTPQR-UHFFFAOYSA-N
Compound name
1,2,3,6-tetrahydropyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

83
References

1014
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 125.5
[M+Na]+ 150.05255 135.6
[M+NH4]+ 145.09715 133.0
[M+K]+ 166.02649 131.2
[M-H]- 126.05605 125.2
[M+Na-2H]- 148.03800 130.1
[M]+ 127.06278 126.4
[M]- 127.06388 126.4
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