CID 131616252

1802433-36-8

Structural Information

Molecular Formula
C14H22BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)CC)N
InChI
InChI=1S/C14H22BNO2/c1-6-10-7-8-12(16)11(9-10)15-17-13(2,3)14(4,5)18-15/h7-9H,6,16H2,1-5H3
InChIKey
JKOMPYGMNWSNMU-UHFFFAOYSA-N
Compound name
4-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

247.17436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.18164 153.8
[M+Na]+ 270.16358 163.0
[M-H]- 246.16708 162.3
[M+NH4]+ 265.20818 174.7
[M+K]+ 286.13752 162.5
[M+H-H2O]+ 230.17162 149.4
[M+HCOO]- 292.17256 174.9
[M+CH3COO]- 306.18821 197.4
[M+Na-2H]- 268.14903 158.3
[M]+ 247.17381 156.0
[M]- 247.17491 156.0
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