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

64
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 158.5
[M+Na]+ 278.11112 163.6
[M-H]- 254.11462 158.2
[M+NH4]+ 273.15572 173.3
[M+K]+ 294.08506 163.4
[M+H-H2O]+ 238.11916 151.3
[M+HCOO]- 300.12010 176.8
[M+CH3COO]- 314.13575 192.5
[M+Na-2H]- 276.09657 160.8
[M]+ 255.12135 159.9
[M]- 255.12245 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