CID 469539

(1-aminopentyl)boronic acid

Structural Information

Molecular Formula
C5H14BNO2
SMILES
B(C(CCCC)N)(O)O
InChI
InChI=1S/C5H14BNO2/c1-2-3-4-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3
InChIKey
KKWSSPUIRYKIAT-UHFFFAOYSA-N
Compound name
1-aminopentylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

131.11176 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.11904 130.1
[M+Na]+ 154.10098 135.2
[M-H]- 130.10448 127.0
[M+NH4]+ 149.14558 150.1
[M+K]+ 170.07492 134.6
[M+H-H2O]+ 114.10902 125.4
[M+HCOO]- 176.10996 149.8
[M+CH3COO]- 190.12561 171.2
[M+Na-2H]- 152.08643 132.7
[M]+ 131.11121 127.1
[M]- 131.11231 127.1
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