CID 71310588

131433-93-7

Structural Information

Molecular Formula
C13H21BO2
SMILES
B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)CC=C
InChI
InChI=1S/C13H21BO2/c1-5-6-14-15-11-8-9-7-10(12(9,2)3)13(11,4)16-14/h5,9-11H,1,6-8H2,2-4H3/t9-,10-,11+,13-/m0/s1
InChIKey
ZWEMLWHNKCNXMY-KQXIARHKSA-N
Compound name
(1S,2S,6R,8S)-2,9,9-trimethyl-4-prop-2-enyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.17075 151.9
[M+Na]+ 243.15269 158.0
[M-H]- 219.15619 155.0
[M+NH4]+ 238.19729 171.8
[M+K]+ 259.12663 159.6
[M+H-H2O]+ 203.16073 144.5
[M+HCOO]- 265.16167 162.7
[M+CH3COO]- 279.17732 197.6
[M+Na-2H]- 241.13814 159.7
[M]+ 220.16292 164.9
[M]- 220.16402 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.