CID 29082618

1-[2-(morpholin-4-yl)ethyl]-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H14N4O3
SMILES
C1COCCN1CCN2C=C(N=N2)C(=O)O
InChI
InChI=1S/C9H14N4O3/c14-9(15)8-7-13(11-10-8)2-1-12-3-5-16-6-4-12/h7H,1-6H2,(H,14,15)
InChIKey
KZISLBUJFANQNO-UHFFFAOYSA-N
Compound name
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.1066 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.113876 150.1
[M+Na]+ 249.095818 156.0
[M-H]- 225.099324 150.0
[M+NH4]+ 244.140423 161.8
[M+K]+ 265.069758 155.0
[M+H-H2O]+ 209.103860 140.4
[M+HCOO]- 271.104801 164.5
[M+CH3COO]- 285.120451 184.1
[M+Na-2H]- 247.081266 153.0
[M]+ 226.10605142 147.9
[M]- 226.10714858 147.9
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

No patent data available for this compound.