CID 53407879

1086392-32-6

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C=CC=C21)CN
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-8-7-11-10(9-15)5-4-6-12(11)16/h4-6H,7-9,15H2,1-3H3
InChIKey
OCAHAEBOBODBIL-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)-2,3-dihydroindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 159.9
[M+Na]+ 271.14170 167.0
[M-H]- 247.14520 162.7
[M+NH4]+ 266.18630 178.8
[M+K]+ 287.11564 164.5
[M+H-H2O]+ 231.14974 153.8
[M+HCOO]- 293.15068 179.2
[M+CH3COO]- 307.16633 195.7
[M+Na-2H]- 269.12715 162.9
[M]+ 248.15193 160.1
[M]- 248.15303 160.1
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.