CID 132343740

2089650-26-8

Structural Information

Molecular Formula
C16H21NO5
SMILES
CC(C)(C)OC(=O)NC1(CCC2=C1C=CC=C2OC)C(=O)O
InChI
InChI=1S/C16H21NO5/c1-15(2,3)22-14(20)17-16(13(18)19)9-8-10-11(16)6-5-7-12(10)21-4/h5-7H,8-9H2,1-4H3,(H,17,20)(H,18,19)
InChIKey
ZUYKNUHAOCTFCM-UHFFFAOYSA-N
Compound name
4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.149246 170.4
[M+Na]+ 330.131188 176.7
[M-H]- 306.134694 173.6
[M+NH4]+ 325.175793 189.3
[M+K]+ 346.105128 175.4
[M+H-H2O]+ 290.139230 165.9
[M+HCOO]- 352.140171 189.1
[M+CH3COO]- 366.155821 203.3
[M+Na-2H]- 328.116636 174.0
[M]+ 307.14142142 173.4
[M]- 307.14251858 173.4
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

No patent data available for this compound.