CID 10264334

L-n-boc-3-pyrazol-1-yl-alanine

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

63
Patents

255.1219 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.129176 158.5
[M+Na]+ 278.111118 163.6
[M-H]- 254.114624 158.2
[M+NH4]+ 273.155723 173.3
[M+K]+ 294.085058 163.4
[M+H-H2O]+ 238.119160 151.3
[M+HCOO]- 300.120101 176.8
[M+CH3COO]- 314.135751 192.5
[M+Na-2H]- 276.096566 160.8
[M]+ 255.12135142 159.9
[M]- 255.12244858 159.9
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

patents stripe