CID 40428755

Boc-l-2-indanylglycine

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](C1CC2=CC=CC=C2C1)C(=O)O
InChI
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13(14(18)19)12-8-10-6-4-5-7-11(10)9-12/h4-7,12-13H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKey
VCHHRDDQOOBPTC-ZDUSSCGKSA-N
Compound name
(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

291.14706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 168.9
[M+Na]+ 314.13628 173.1
[M-H]- 290.13978 171.5
[M+NH4]+ 309.18088 186.1
[M+K]+ 330.11022 171.5
[M+H-H2O]+ 274.14432 163.5
[M+HCOO]- 336.14526 186.4
[M+CH3COO]- 350.16091 201.2
[M+Na-2H]- 312.12173 170.2
[M]+ 291.14651 169.0
[M]- 291.14761 169.0
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