CID 115299802

1372405-93-0

Structural Information

Molecular Formula

C₁₀H₁₆N₄O₄

SMILES

CC(C)(C)OC(=O)NCC1=CN(N=N1)CC(=O)O

InChI

InChI=1S/C10H16N4O4/c1-10(2,3)18-9(17)11-4-7-5-14(13-12-7)6-8(15)16/h5H,4,6H2,1-3H3,(H,11,17)(H,15,16)

InChIKey

AQQQUHVIHLWEMT-UHFFFAOYSA-N

Compound name

2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazol-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.11716 Da
Monoisotopic Mass: -0.1
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]+	257.124436	158.1
[M+Na]+	279.106378	164.8
[M-H]-	255.109884	156.9
[M+NH4]+	274.150983	171.9
[M+K]+	295.080318	164.1
[M+H-H2O]+	239.114420	150.4
[M+HCOO]-	301.115361	176.4
[M+CH3COO]-	315.131011	192.7
[M+Na-2H]-	277.091826	161.4
[M]+	256.11661142	160.6
[M]-	256.11770858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe