CID 6438972

Nitracidomycin a

Structural Information

Molecular Formula
C11H20N2O6
SMILES
CC(C)C(C(C(C)C(=O)O)O)NC(=O)/C=[N+](\[O-])/OC
InChI
InChI=1S/C11H20N2O6/c1-6(2)9(10(15)7(3)11(16)17)12-8(14)5-13(18)19-4/h5-7,9-10,15H,1-4H3,(H,12,14)(H,16,17)/b13-5+
InChIKey
GMJHMZVGDYXZRQ-WLRTZDKTSA-N
Compound name
2-[(5-carboxy-4-hydroxy-2-methylhexan-3-yl)amino]-N-methoxy-2-oxoethanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

276.13214 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13942 161.8
[M+Na]+ 299.12136 163.6
[M-H]- 275.12486 182.2
[M+NH4]+ 294.16596 184.2
[M+K]+ 315.09530 160.4
[M+H-H2O]+ 259.12940 160.8
[M+HCOO]- 321.13034 177.7
[M+CH3COO]- 335.14599 192.4
[M+Na-2H]- 297.10681 159.8
[M]+ 276.13159 171.7
[M]- 276.13269 171.7
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