CID 2758015

126689-01-8

Structural Information

Molecular Formula
C9H17BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CC2
InChI
InChI=1S/C9H17BO2/c1-8(2)9(3,4)12-10(11-8)7-5-6-7/h7H,5-6H2,1-4H3
InChIKey
XGBMQBPLWXTEPM-UHFFFAOYSA-N
Compound name
2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1154
Patents

168.13216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13944 131.5
[M+Na]+ 191.12138 141.8
[M-H]- 167.12488 141.0
[M+NH4]+ 186.16598 150.7
[M+K]+ 207.09532 144.1
[M+H-H2O]+ 151.12942 128.3
[M+HCOO]- 213.13036 151.3
[M+CH3COO]- 227.14601 182.2
[M+Na-2H]- 189.10683 139.0
[M]+ 168.13161 136.7
[M]- 168.13271 136.7
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