CID 24229591

1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C15H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(CC3)C
InChI
InChI=1S/C15H22BNO2/c1-14(2)15(3,4)19-16(18-14)12-6-7-13-11(10-12)8-9-17(13)5/h6-7,10H,8-9H2,1-5H3
InChIKey
CZYIGZLFKRAXMV-UHFFFAOYSA-N
Compound name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

259.17435 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.18163 156.0
[M+Na]+ 282.16357 166.0
[M-H]- 258.16707 164.3
[M+NH4]+ 277.20817 178.3
[M+K]+ 298.13751 165.0
[M+H-H2O]+ 242.17161 151.4
[M+HCOO]- 304.17255 174.2
[M+CH3COO]- 318.18820 169.8
[M+Na-2H]- 280.14902 159.2
[M]+ 259.17380 158.8
[M]- 259.17490 158.8
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