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

15
Patents

196.09602 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10330 143.7
[M+Na]+ 219.08524 149.7
[M-H]- 195.08874 141.9
[M+NH4]+ 214.12984 157.3
[M+K]+ 235.05918 146.7
[M+H-H2O]+ 179.09328 134.6
[M+HCOO]- 241.09422 157.7
[M+CH3COO]- 255.10987 176.5
[M+Na-2H]- 217.07069 146.2
[M]+ 196.09547 137.4
[M]- 196.09657 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