CID 66617788

873663-50-4

Structural Information

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

70
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

No literature data available for this compound.

Patent stripe

patents stripe