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

1
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

patents stripe