CID 138689876

2355216-60-1

Structural Information

Molecular Formula

C₁₂H₁₇N₃O₄

SMILES

CC(C)(C)OC(=O)N1CC(C1)N2C=C(N=C2)C(=O)O

InChI

InChI=1S/C12H17N3O4/c1-12(2,3)19-11(18)14-4-8(5-14)15-6-9(10(16)17)13-7-15/h6-8H,4-5H2,1-3H3,(H,16,17)

InChIKey

AHRFDIBDTWTQIO-UHFFFAOYSA-N

Compound name

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]imidazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 267.12192 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	268.129196	162.0
[M+Na]+	290.111138	167.1
[M-H]-	266.114644	163.6
[M+NH4]+	285.155743	169.1
[M+K]+	306.085078	169.2
[M+H-H2O]+	250.119180	149.2
[M+HCOO]-	312.120121	176.5
[M+CH3COO]-	326.135771	196.1
[M+Na-2H]-	288.096586	162.2
[M]+	267.12137142	171.8
[M]-	267.12246858	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe