CID 2734652

191171-55-8

Structural Information

Molecular Formula
C12H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2N
InChI
InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,14H2,1-4H3
InChIKey
ZCJRWQDZPIIYLM-UHFFFAOYSA-N
Compound name
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

776
Patents

219.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15035 145.5
[M+Na]+ 242.13229 154.7
[M-H]- 218.13579 154.0
[M+NH4]+ 237.17689 167.2
[M+K]+ 258.10623 154.6
[M+H-H2O]+ 202.14033 141.1
[M+HCOO]- 264.14127 167.3
[M+CH3COO]- 278.15692 190.2
[M+Na-2H]- 240.11774 151.7
[M]+ 219.14252 146.6
[M]- 219.14362 146.6
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