CID 62060422

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H7N5O3
SMILES
CC1=NC(=NO1)CN2C=C(N=N2)C(=O)O
InChI
InChI=1S/C7H7N5O3/c1-4-8-6(10-15-4)3-12-2-5(7(13)14)9-11-12/h2H,3H2,1H3,(H,13,14)
InChIKey
NFQHTAYHAXKBCN-UHFFFAOYSA-N
Compound name
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.05489 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06217 140.1
[M+Na]+ 232.04411 151.6
[M+NH4]+ 227.08871 141.3
[M+K]+ 248.01805 153.7
[M-H]- 208.04761 150.6
[M+Na-2H]- 230.02956 131.2
[M]+ 209.05434 160.3
[M]- 209.05544 181.5
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.