CID 138040782

2-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)-6-azaspiro[3.4]octane hydrochloride

Structural Information

Molecular Formula
C14H26BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CC2CC3(C2)CCNC3
InChI
InChI=1S/C14H26BNO2/c1-12(2)13(3,4)18-15(17-12)9-11-7-14(8-11)5-6-16-10-14/h11,16H,5-10H2,1-4H3
InChIKey
GVDFEGHNEFWWPY-UHFFFAOYSA-N
Compound name
2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-6-azaspiro[3.4]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.21294 151.5
[M+Na]+ 274.19488 156.6
[M-H]- 250.19838 158.7
[M+NH4]+ 269.23948 167.5
[M+K]+ 290.16882 158.4
[M+H-H2O]+ 234.20292 144.6
[M+HCOO]- 296.20386 165.6
[M+CH3COO]- 310.21951 193.5
[M+Na-2H]- 272.18033 154.3
[M]+ 251.20511 158.0
[M]- 251.20621 158.0
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.