CID 11030482

167896-48-2

Structural Information

Molecular Formula
C9H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/CO
InChI
InChI=1S/C9H17BO3/c1-8(2)9(3,4)13-10(12-8)6-5-7-11/h5-6,11H,7H2,1-4H3/b6-5+
InChIKey
RLTDGBMRNFUOPQ-AATRIKPKSA-N
Compound name
(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

184.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.13436 135.4
[M+Na]+ 207.11630 144.0
[M-H]- 183.11980 139.3
[M+NH4]+ 202.16090 158.4
[M+K]+ 223.09024 144.7
[M+H-H2O]+ 167.12434 133.2
[M+HCOO]- 229.12528 155.0
[M+CH3COO]- 243.14093 178.2
[M+Na-2H]- 205.10175 142.4
[M]+ 184.12653 138.0
[M]- 184.12763 138.0
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