CID 5287843

(2r)-2-{[formyl(hydroxy)amino]methyl}hexanoic acid

Structural Information

Molecular Formula
C8H15NO4
SMILES
CCCC[C@H](CN(C=O)O)C(=O)O
InChI
InChI=1S/C8H15NO4/c1-2-3-4-7(8(11)12)5-9(13)6-10/h6-7,13H,2-5H2,1H3,(H,11,12)/t7-/m1/s1
InChIKey
NOSUUIPGNMAALM-SSDOTTSWSA-N
Compound name
(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

189.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 142.4
[M+Na]+ 212.08933 147.2
[M-H]- 188.09283 140.9
[M+NH4]+ 207.13393 160.6
[M+K]+ 228.06327 147.6
[M+H-H2O]+ 172.09737 136.9
[M+HCOO]- 234.09831 163.4
[M+CH3COO]- 248.11396 184.3
[M+Na-2H]- 210.07478 144.3
[M]+ 189.09956 144.1
[M]- 189.10066 144.1
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