CID 10997426

126726-62-3

Structural Information

Molecular Formula
C9H17BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)C
InChI
InChI=1S/C9H17BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10/h1H2,2-6H3
InChIKey
SVSUYEJKNSMKKW-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6080
Patents

168.13216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13944 130.9
[M+Na]+ 191.12138 139.7
[M-H]- 167.12488 136.3
[M+NH4]+ 186.16598 155.2
[M+K]+ 207.09532 141.4
[M+H-H2O]+ 151.12942 128.8
[M+HCOO]- 213.13036 150.8
[M+CH3COO]- 227.14601 180.4
[M+Na-2H]- 189.10683 137.1
[M]+ 168.13161 133.3
[M]- 168.13271 133.3
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