CID 57362342

1160686-01-0

Structural Information

Molecular Formula
C13H20BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC
InChI
InChI=1S/C13H20BNO2/c1-12(2)13(3,4)17-14(16-12)10-8-6-7-9-11(10)15-5/h6-9,15H,1-5H3
InChIKey
UQVZMURCPCTKTK-UHFFFAOYSA-N
Compound name
N-methyl-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

13
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

literature stripe

Patent stripe

patents stripe