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]+ 257.124436 158.1
[M+Na]+ 279.106378 165.7
[M-H]- 255.109884 157.2
[M+NH4]+ 274.150983 172.1
[M+K]+ 295.080318 165.0
[M+H-H2O]+ 239.114420 150.8
[M+HCOO]- 301.115361 176.3
[M+CH3COO]- 315.131011 194.0
[M+Na-2H]- 277.091826 160.7
[M]+ 256.11661142 160.9
[M]- 256.11770858 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.