CID 10753138

350683-41-9

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC2=C1C=CC(=C2)CO
InChI
InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-7-6-11-8-10(9-16)4-5-12(11)15/h4-5,8,16H,6-7,9H2,1-3H3
InChIKey
DLWRRDJYEAGSTP-UHFFFAOYSA-N
Compound name
tert-butyl 5-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

249.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 159.2
[M+Na]+ 272.12571 166.6
[M-H]- 248.12921 161.1
[M+NH4]+ 267.17031 177.8
[M+K]+ 288.09965 164.2
[M+H-H2O]+ 232.13375 153.6
[M+HCOO]- 294.13469 176.7
[M+CH3COO]- 308.15034 190.9
[M+Na-2H]- 270.11116 162.3
[M]+ 249.13594 160.7
[M]- 249.13704 160.7
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