CID 10753139

214614-98-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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 157.6
[M+Na]+ 272.12571 167.5
[M+NH4]+ 267.17031 164.5
[M+K]+ 288.09965 164.8
[M-H]- 248.12921 157.0
[M+Na-2H]- 270.11116 160.4
[M]+ 249.13594 158.6
[M]- 249.13704 158.6
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