CID 57415656

1044764-69-3

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)C(=CC=C2)C(=O)O
InChI
InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-7-9-5-4-6-10(12(16)17)11(9)8-15/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKey
TWSXZRDGGYYYOB-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

263.11575 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 159.1
[M+Na]+ 286.10497 168.2
[M+NH4]+ 281.14957 164.9
[M+K]+ 302.07891 166.8
[M-H]- 262.10847 157.5
[M+Na-2H]- 284.09042 161.0
[M]+ 263.11520 159.6
[M]- 263.11630 159.6
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