CID 138040117

2026171-33-3

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC(C)(C)OC(=O)NC(C1=CC=NN1C)C(=O)O
InChI
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)7-5-6-12-14(7)4/h5-6,8H,1-4H3,(H,13,17)(H,15,16)
InChIKey
ZLYJOEHRXLQMMO-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-methylpyrazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1219 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 157.3
[M+Na]+ 278.11112 163.6
[M+NH4]+ 273.15572 160.8
[M+K]+ 294.08506 164.7
[M-H]- 254.11462 153.8
[M+Na-2H]- 276.09657 158.4
[M]+ 255.12135 156.5
[M]- 255.12245 156.5
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.