CID 165985678

En300-37357257

Structural Information

Molecular Formula
C13H24BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2(CC(C2)N)C3CC3
InChI
InChI=1S/C13H24BNO2/c1-11(2)12(3,4)17-14(16-11)13(9-5-6-9)7-10(15)8-13/h9-10H,5-8,15H2,1-4H3
InChIKey
WHGFRUPVZUPCIM-UHFFFAOYSA-N
Compound name
3-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.19 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.19728 145.6
[M+Na]+ 260.17922 152.8
[M-H]- 236.18272 157.1
[M+NH4]+ 255.22382 157.2
[M+K]+ 276.15316 157.1
[M+H-H2O]+ 220.18726 139.4
[M+HCOO]- 282.18820 162.4
[M+CH3COO]- 296.20385 199.8
[M+Na-2H]- 258.16467 150.6
[M]+ 237.18945 156.9
[M]- 237.19055 156.9
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.