CID 66575047

860024-94-8

Structural Information

Molecular Formula
C15H20ClNO2
SMILES
CC(C)(C)OC(=O)N1CCC2=C1C=CC(=C2)CCCl
InChI
InChI=1S/C15H20ClNO2/c1-15(2,3)19-14(18)17-9-7-12-10-11(6-8-16)4-5-13(12)17/h4-5,10H,6-9H2,1-3H3
InChIKey
WSOGILKNZBKVPB-UHFFFAOYSA-N
Compound name
tert-butyl 5-(2-chloroethyl)-2,3-dihydroindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

281.11826 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12554 167.7
[M+Na]+ 304.10748 176.0
[M-H]- 280.11098 170.7
[M+NH4]+ 299.15208 186.6
[M+K]+ 320.08142 171.7
[M+H-H2O]+ 264.11552 162.1
[M+HCOO]- 326.11646 181.5
[M+CH3COO]- 340.13211 198.1
[M+Na-2H]- 302.09293 170.0
[M]+ 281.11771 171.9
[M]- 281.11881 171.9
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