CID 62060422

1247778-45-5

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]+ 210.062166 140.1
[M+Na]+ 232.044108 151.6
[M-H]- 208.047614 141.3
[M+NH4]+ 227.088713 153.7
[M+K]+ 248.018048 150.6
[M+H-H2O]+ 192.052150 131.2
[M+HCOO]- 254.053091 160.3
[M+CH3COO]- 268.068741 181.5
[M+Na-2H]- 230.029556 144.3
[M]+ 209.05434142 144.5
[M]- 209.05543858 144.5
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.