CID 17750210

631911-01-8

Structural Information

Molecular Formula
C13H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)N)C
InChI
InChI=1S/C13H20BNO2/c1-9-8-10(15)6-7-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,15H2,1-5H3
InChIKey
ZZMUAVWNSFFTLI-UHFFFAOYSA-N
Compound name
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

233.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16598 149.2
[M+Na]+ 256.14792 158.8
[M-H]- 232.15142 157.8
[M+NH4]+ 251.19252 170.7
[M+K]+ 272.12186 158.6
[M+H-H2O]+ 216.15596 145.0
[M+HCOO]- 278.15690 170.6
[M+CH3COO]- 292.17255 194.4
[M+Na-2H]- 254.13337 154.2
[M]+ 233.15815 151.1
[M]- 233.15925 151.1
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