CID 145874670

2375273-68-8

Structural Information

Molecular Formula
C12H17N3O4
SMILES
CC(C)(C)OC(=O)C1CCC2=NN=C(N2C1)C(=O)O
InChI
InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)7-4-5-8-13-14-9(10(16)17)15(8)6-7/h7H,4-6H2,1-3H3,(H,16,17)
InChIKey
DIRSJUIQUBPETP-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12192 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.129196 161.6
[M+Na]+ 290.111138 168.5
[M-H]- 266.114644 160.8
[M+NH4]+ 285.155743 176.2
[M+K]+ 306.085078 167.1
[M+H-H2O]+ 250.119180 154.7
[M+HCOO]- 312.120121 175.0
[M+CH3COO]- 326.135771 193.9
[M+Na-2H]- 288.096586 163.8
[M]+ 267.12137142 162.2
[M]- 267.12246858 162.2
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.