CID 9793992

2(s)-amino-6-boronohexanoic acid

Structural Information

Molecular Formula
C6H14BNO4
SMILES
B(CCCC[C@@H](C(=O)O)N)(O)O
InChI
InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
InChIKey
HFKKMXCOJQIYAH-YFKPBYRVSA-N
Compound name
(2S)-2-amino-6-boronohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

1192
Patents

175.1016 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10888 139.2
[M+Na]+ 198.09082 143.3
[M-H]- 174.09432 134.5
[M+NH4]+ 193.13542 156.3
[M+K]+ 214.06476 142.6
[M+H-H2O]+ 158.09886 134.1
[M+HCOO]- 220.09980 156.6
[M+CH3COO]- 234.11545 176.2
[M+Na-2H]- 196.07627 139.5
[M]+ 175.10105 136.2
[M]- 175.10215 136.2
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