CID 22719598

149506-00-3

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)NC1CC2=C(C1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-12-7-9-4-5-10(13(17)18)6-11(9)8-12/h4-6,12H,7-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
TVCUVBOXXTUJEA-UHFFFAOYSA-N
Compound name
2-[(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

18
Patents

277.1314 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.138676 163.9
[M+Na]+ 300.120618 169.8
[M-H]- 276.124124 167.1
[M+NH4]+ 295.165223 182.1
[M+K]+ 316.094558 167.8
[M+H-H2O]+ 260.128660 158.8
[M+HCOO]- 322.129601 182.8
[M+CH3COO]- 336.145251 198.6
[M+Na-2H]- 298.106066 166.3
[M]+ 277.13085142 164.7
[M]- 277.13194858 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