CID 46937028

Diethyl [(1r)-1,5-diaminopentyl]boronate

Structural Information

Molecular Formula
C9H23BN2O2
SMILES
B([C@H](CCCCN)N)(OCC)OCC
InChI
InChI=1S/C9H23BN2O2/c1-3-13-10(14-4-2)9(12)7-5-6-8-11/h9H,3-8,11-12H2,1-2H3/t9-/m0/s1
InChIKey
FYUGRVWDCBMIQX-VIFPVBQESA-N
Compound name
(1R)-1-diethoxyboranylpentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.18526 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.19254 151.0
[M+Na]+ 225.17448 154.3
[M-H]- 201.17798 149.4
[M+NH4]+ 220.21908 168.9
[M+K]+ 241.14842 154.2
[M+H-H2O]+ 185.18252 144.5
[M+HCOO]- 247.18346 172.7
[M+CH3COO]- 261.19911 192.8
[M+Na-2H]- 223.15993 151.7
[M]+ 202.18471 151.5
[M]- 202.18581 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.