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]+ 227.11388 150.1
[M+Na]+ 249.09582 156.0
[M-H]- 225.09932 150.0
[M+NH4]+ 244.14042 161.8
[M+K]+ 265.06976 155.0
[M+H-H2O]+ 209.10386 140.4
[M+HCOO]- 271.10480 164.5
[M+CH3COO]- 285.12045 184.1
[M+Na-2H]- 247.08127 153.0
[M]+ 226.10605 147.9
[M]- 226.10715 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.