CID 2763171

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

Structural Information

Molecular Formula
C9H17BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC=C
InChI
InChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6H,1,7H2,2-5H3
InChIKey
YMHIEPNFCBNQQU-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1157
Patents

168.13216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13944 130.6
[M+Na]+ 191.12138 139.7
[M-H]- 167.12488 136.0
[M+NH4]+ 186.16598 155.0
[M+K]+ 207.09532 140.9
[M+H-H2O]+ 151.12942 128.3
[M+HCOO]- 213.13036 151.6
[M+CH3COO]- 227.14601 179.5
[M+Na-2H]- 189.10683 138.1
[M]+ 168.13161 133.6
[M]- 168.13271 133.6
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