CID 66563714

1049677-39-5

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC1(CNC2=C1C=CC(=C2)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C15H22N2O2/c1-14(2,3)19-13(18)17-10-6-7-11-12(8-10)16-9-15(11,4)5/h6-8,16H,9H2,1-5H3,(H,17,18)
InChIKey
YQXRYVXRCHIFOY-UHFFFAOYSA-N
Compound name
tert-butyl N-(3,3-dimethyl-1,2-dihydroindol-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.4
[M+Na]+ 285.15734 170.6
[M-H]- 261.16084 165.4
[M+NH4]+ 280.20194 183.3
[M+K]+ 301.13128 167.6
[M+H-H2O]+ 245.16538 158.2
[M+HCOO]- 307.16632 181.5
[M+CH3COO]- 321.18197 196.4
[M+Na-2H]- 283.14279 167.8
[M]+ 262.16757 163.5
[M]- 262.16867 163.5
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.