CID 11833635

1-(tert-butoxycarbonyl)-l-tryptophan

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)N
InChI
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-9-10(8-12(17)14(19)20)11-6-4-5-7-13(11)18/h4-7,9,12H,8,17H2,1-3H3,(H,19,20)/t12-/m0/s1
InChIKey
DYWUPCCKOVTCFZ-LBPRGKRZSA-N
Compound name
(2S)-2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1413
Patents

304.1423 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 171.7
[M+Na]+ 327.13152 178.7
[M-H]- 303.13502 173.7
[M+NH4]+ 322.17612 187.2
[M+K]+ 343.10546 176.5
[M+H-H2O]+ 287.13956 165.4
[M+HCOO]- 349.14050 190.2
[M+CH3COO]- 363.15615 204.0
[M+Na-2H]- 325.11697 173.1
[M]+ 304.14175 174.5
[M]- 304.14285 174.5
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