CID 67479620

1-(piperidin-4-yl)-1h-1,2,3-triazole-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H12N4O2
SMILES
C1CNCCC1N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C8H12N4O2/c13-8(14)7-5-12(11-10-7)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,13,14)
InChIKey
IQDCGUJYWBWOGH-UHFFFAOYSA-N
Compound name
1-piperidin-4-yltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

196.09602 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.103296 143.7
[M+Na]+ 219.085238 149.7
[M-H]- 195.088744 141.9
[M+NH4]+ 214.129843 157.3
[M+K]+ 235.059178 146.7
[M+H-H2O]+ 179.093280 134.6
[M+HCOO]- 241.094221 157.7
[M+CH3COO]- 255.109871 176.5
[M+Na-2H]- 217.070686 146.2
[M]+ 196.09547142 137.4
[M]- 196.09656858 137.4
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