CID 155973125

7a-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-octahydropyrano[3,4-c]pyrrole hydrochloride

Structural Information

Molecular Formula
C13H24BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CCOCC2CNC3
InChI
InChI=1S/C13H24BNO3/c1-11(2)12(3,4)18-14(17-11)13-5-6-16-8-10(13)7-15-9-13/h10,15H,5-9H2,1-4H3
InChIKey
ZCDNEHKYJHBUKZ-UHFFFAOYSA-N
Compound name
7a-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,3a,4,6,7-hexahydro-1H-pyrano[3,4-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.18492 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.19220 154.5
[M+Na]+ 276.17414 161.0
[M-H]- 252.17764 160.5
[M+NH4]+ 271.21874 175.8
[M+K]+ 292.14808 161.7
[M+H-H2O]+ 236.18218 150.8
[M+HCOO]- 298.18312 166.5
[M+CH3COO]- 312.19877 166.2
[M+Na-2H]- 274.15959 158.7
[M]+ 253.18437 152.3
[M]- 253.18547 152.3
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.