CID 90345114

2377609-02-2

Structural Information

Molecular Formula
C14H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CCNC3=CC=C2
InChI
InChI=1S/C14H20BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-7-12-10(11)8-9-16-12/h5-7,16H,8-9H2,1-4H3
InChIKey
NDIUBXIMEYQUFM-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

245.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16598 153.3
[M+Na]+ 268.14792 162.4
[M-H]- 244.15142 160.0
[M+NH4]+ 263.19252 175.1
[M+K]+ 284.12186 160.7
[M+H-H2O]+ 228.15596 148.7
[M+HCOO]- 290.15690 170.3
[M+CH3COO]- 304.17255 166.3
[M+Na-2H]- 266.13337 157.1
[M]+ 245.15815 153.5
[M]- 245.15925 153.5
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

patents stripe