CID 83169

Boc-trp-oh

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKey
NFVNYBJCJGKVQK-ZDUSSCGKSA-N
Compound name
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

2234
Patents

304.1423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 170.1
[M+Na]+ 327.13152 177.9
[M+NH4]+ 322.17612 174.6
[M+K]+ 343.10546 177.0
[M-H]- 303.13502 168.2
[M+Na-2H]- 325.11697 172.2
[M]+ 304.14175 170.1
[M]- 304.14285 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe