CID 137347011

N,n-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-amine

Structural Information

Molecular Formula
C14H26BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)N(C)C
InChI
InChI=1S/C14H26BNO2/c1-13(2)14(3,4)18-15(17-13)11-7-9-12(10-8-11)16(5)6/h7,12H,8-10H2,1-6H3
InChIKey
VTFPQICQYBBNII-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-amine
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 156.3
[M+Na]+ 274.19488 162.6
[M-H]- 250.19838 165.5
[M+NH4]+ 269.23948 177.4
[M+K]+ 290.16882 164.2
[M+H-H2O]+ 234.20292 151.6
[M+HCOO]- 296.20386 175.5
[M+CH3COO]- 310.21951 201.0
[M+Na-2H]- 272.18033 159.8
[M]+ 251.20511 157.3
[M]- 251.20621 157.3
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.