CID 59505548

1246508-31-5

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)NC1CCC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-12-7-6-9-4-5-10(13(17)18)8-11(9)12/h4-5,8,12H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
ZUMGCXBQQOWLQS-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

277.1314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 163.9
[M+Na]+ 300.12062 169.8
[M-H]- 276.12412 167.1
[M+NH4]+ 295.16522 182.1
[M+K]+ 316.09456 167.8
[M+H-H2O]+ 260.12866 158.8
[M+HCOO]- 322.12960 182.8
[M+CH3COO]- 336.14525 198.6
[M+Na-2H]- 298.10607 166.3
[M]+ 277.13085 164.7
[M]- 277.13195 164.7
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