CID 1268157

2-{[(tert-butoxy)carbonyl]amino}-2,3-dihydro-1h-indene-2-carboxylic acid

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)NC1(CC2=CC=CC=C2C1)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)8-10-6-4-5-7-11(10)9-15/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
YOMACQVTIAGKNW-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
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 164.2
[M+Na]+ 300.12062 170.2
[M-H]- 276.12412 167.2
[M+NH4]+ 295.16522 184.1
[M+K]+ 316.09456 168.3
[M+H-H2O]+ 260.12866 159.7
[M+HCOO]- 322.12960 183.1
[M+CH3COO]- 336.14525 196.8
[M+Na-2H]- 298.10607 168.5
[M]+ 277.13085 164.9
[M]- 277.13195 164.9
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