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]+ 308.14925 169.4
[M+Na]+ 330.13119 176.6
[M+NH4]+ 325.17579 176.1
[M+K]+ 346.10513 173.8
[M-H]- 306.13469 168.2
[M+Na-2H]- 328.11664 172.4
[M]+ 307.14142 169.8
[M]- 307.14252 169.8
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.