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

222
Patents

233.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.165976 149.2
[M+Na]+ 256.147918 158.8
[M-H]- 232.151424 157.8
[M+NH4]+ 251.192523 170.7
[M+K]+ 272.121858 158.6
[M+H-H2O]+ 216.155960 145.0
[M+HCOO]- 278.156901 170.6
[M+CH3COO]- 292.172551 194.4
[M+Na-2H]- 254.133366 154.2
[M]+ 233.15815142 151.1
[M]- 233.15924858 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