CID 89865775

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine

Structural Information

Molecular Formula
C9H18BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)CN
InChI
InChI=1S/C9H18BNO2/c1-7(6-11)10-12-8(2,3)9(4,5)13-10/h1,6,11H2,2-5H3
InChIKey
PSAOJGDYIPYFIK-UHFFFAOYSA-N
Compound name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

183.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.15035 137.7
[M+Na]+ 206.13229 145.5
[M-H]- 182.13579 142.4
[M+NH4]+ 201.17689 160.6
[M+K]+ 222.10623 146.6
[M+H-H2O]+ 166.14033 134.9
[M+HCOO]- 228.14127 157.8
[M+CH3COO]- 242.15692 184.6
[M+Na-2H]- 204.11774 142.9
[M]+ 183.14252 138.2
[M]- 183.14362 138.2
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