CID 17039365

Cis-1-tert-butoxycarbonylamino-indan-2-carboxylic acid

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1[C@@H](CC2=CC=CC=C12)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-12-10-7-5-4-6-9(10)8-11(12)13(17)18/h4-7,11-12H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-,12+/m1/s1
InChIKey
VBSZRUPJEYMRLU-NEPJUHHUSA-N
Compound name
(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

277.1314 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 163.2
[M+Na]+ 300.12062 170.9
[M+NH4]+ 295.16522 169.1
[M+K]+ 316.09456 169.5
[M-H]- 276.12412 162.6
[M+Na-2H]- 298.10607 165.0
[M]+ 277.13085 163.7
[M]- 277.13195 163.7
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

patents stripe