CID 132398566

2167676-04-0

Structural Information

Molecular Formula
C10H16N4O4
SMILES
CC(C)(C)OC(=O)NCC1=C(N(N=N1)C)C(=O)O
InChI
InChI=1S/C10H16N4O4/c1-10(2,3)18-9(17)11-5-6-7(8(15)16)14(4)13-12-6/h5H2,1-4H3,(H,11,17)(H,15,16)
InChIKey
BNRNFGLNBBCWQF-UHFFFAOYSA-N
Compound name
3-methyl-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.11716 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12444 158.1
[M+Na]+ 279.10638 165.7
[M-H]- 255.10988 157.2
[M+NH4]+ 274.15098 172.1
[M+K]+ 295.08032 165.0
[M+H-H2O]+ 239.11442 150.8
[M+HCOO]- 301.11536 176.3
[M+CH3COO]- 315.13101 194.0
[M+Na-2H]- 277.09183 160.7
[M]+ 256.11661 160.9
[M]- 256.11771 160.9
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.