CID 101544409

2-(cyclopropylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C10H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2CC2
InChI
InChI=1S/C10H19BO2/c1-9(2)10(3,4)13-11(12-9)7-8-5-6-8/h8H,5-7H2,1-4H3
InChIKey
RCYXITFSTMSWPH-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

182.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.15509 135.8
[M+Na]+ 205.13703 145.6
[M-H]- 181.14053 145.0
[M+NH4]+ 200.18163 154.4
[M+K]+ 221.11097 147.7
[M+H-H2O]+ 165.14507 132.4
[M+HCOO]- 227.14601 155.3
[M+CH3COO]- 241.16166 185.1
[M+Na-2H]- 203.12248 142.7
[M]+ 182.14726 141.3
[M]- 182.14836 141.3
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