CID 469541

(1-amino-3-methylbutyl)boronic acid

Structural Information

Molecular Formula
C5H14BNO2
SMILES
B(C(CC(C)C)N)(O)O
InChI
InChI=1S/C5H14BNO2/c1-4(2)3-5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3
InChIKey
BMGMQYRPZOGZFU-UHFFFAOYSA-N
Compound name
(1-amino-3-methylbutyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

131.11176 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.11904 130.5
[M+Na]+ 154.10098 135.4
[M-H]- 130.10448 127.6
[M+NH4]+ 149.14558 150.5
[M+K]+ 170.07492 135.4
[M+H-H2O]+ 114.10902 126.0
[M+HCOO]- 176.10996 149.2
[M+CH3COO]- 190.12561 172.2
[M+Na-2H]- 152.08643 131.8
[M]+ 131.11121 126.9
[M]- 131.11231 126.9
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