CID 17750242

851883-08-4

Structural Information

Molecular Formula
C12H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)N
InChI
InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,14-15H2,1-4H3
InChIKey
SVUDHDDKOKWBNK-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

234.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16124 150.6
[M+Na]+ 257.14318 159.8
[M-H]- 233.14668 158.8
[M+NH4]+ 252.18778 171.3
[M+K]+ 273.11712 159.2
[M+H-H2O]+ 217.15122 146.0
[M+HCOO]- 279.15216 172.6
[M+CH3COO]- 293.16781 196.0
[M+Na-2H]- 255.12863 155.4
[M]+ 234.15341 150.4
[M]- 234.15451 150.4
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