CID 11957892

N-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Structural Information

Molecular Formula
C13H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC
InChI
InChI=1S/C13H20BNO2/c1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10/h6-9,15H,1-5H3
InChIKey
WWGNYCWKFZIQQS-UHFFFAOYSA-N
Compound name
N-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

229
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 157.9
[M-H]- 232.151424 157.9
[M+NH4]+ 251.192523 170.6
[M+K]+ 272.121858 158.0
[M+H-H2O]+ 216.155960 144.6
[M+HCOO]- 278.156901 171.2
[M+CH3COO]- 292.172551 193.8
[M+Na-2H]- 254.133366 155.8
[M]+ 233.15815142 151.6
[M]- 233.15924858 151.6
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