CID 121229071

Boc-7-fluoro-l-tryptophan

Structural Information

Molecular Formula
C16H19FN2O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2F)C(=O)O
InChI
InChI=1S/C16H19FN2O4/c1-16(2,3)23-15(22)19-12(14(20)21)7-9-8-18-13-10(9)5-4-6-11(13)17/h4-6,8,12,18H,7H2,1-3H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKey
ZBRNRKPATPNTCH-LBPRGKRZSA-N
Compound name
(2S)-3-(7-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13287 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.14015 173.9
[M+Na]+ 345.12209 180.4
[M-H]- 321.12559 173.6
[M+NH4]+ 340.16669 188.1
[M+K]+ 361.09603 177.3
[M+H-H2O]+ 305.13013 166.8
[M+HCOO]- 367.13107 190.4
[M+CH3COO]- 381.14672 204.9
[M+Na-2H]- 343.10754 175.3
[M]+ 322.13232 174.7
[M]- 322.13342 174.7
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.