CID 79311474

1529035-77-5

Structural Information

Molecular Formula
C11H16N4O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C11H16N4O4/c1-11(2,3)19-10(18)14-4-7(5-14)15-6-8(9(16)17)12-13-15/h6-7H,4-5H2,1-3H3,(H,16,17)
InChIKey
BNDXKXWDWFSUSI-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.11716 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12444 162.6
[M+Na]+ 291.10638 168.1
[M-H]- 267.10988 162.9
[M+NH4]+ 286.15098 168.3
[M+K]+ 307.08032 170.2
[M+H-H2O]+ 251.11442 149.1
[M+HCOO]- 313.11536 176.1
[M+CH3COO]- 327.13101 196.1
[M+Na-2H]- 289.09183 163.1
[M]+ 268.11661 172.4
[M]- 268.11771 172.4
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.