CID 10264334

21012-18-0

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CN1C=CC=N1)C(=O)O
InChI
InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)7-14-6-4-5-12-14/h4-6,8H,7H2,1-3H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKey
JPGQESMEFISORC-QMMMGPOBSA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrazol-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

255.1219 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 157.3
[M+Na]+ 278.11112 163.2
[M+NH4]+ 273.15572 160.8
[M+K]+ 294.08506 164.1
[M-H]- 254.11462 153.8
[M+Na-2H]- 276.09657 158.7
[M]+ 255.12135 156.4
[M]- 255.12245 156.4
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

patents stripe