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

106
Patents

291.14706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 168.9
[M+Na]+ 314.136278 173.1
[M-H]- 290.139784 171.5
[M+NH4]+ 309.180883 186.1
[M+K]+ 330.110218 171.5
[M+H-H2O]+ 274.144320 163.5
[M+HCOO]- 336.145261 186.4
[M+CH3COO]- 350.160911 201.2
[M+Na-2H]- 312.121726 170.2
[M]+ 291.14651142 169.0
[M]- 291.14760858 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