CID 6439127

Maniwamycin a

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CCCC/C=C/[N+](=N[C@@H](C)C(=O)C)[O-]
InChI
InChI=1S/C10H18N2O2/c1-4-5-6-7-8-12(14)11-9(2)10(3)13/h7-9H,4-6H2,1-3H3/b8-7+,12-11?/t9-/m0/s1
InChIKey
WFHYSKXBQMLHKH-JFLSSZQFSA-N
Compound name
[(E)-hex-1-enyl]-oxido-[(2S)-3-oxobutan-2-yl]iminoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

198.13683 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 148.6
[M+Na]+ 221.12605 153.4
[M-H]- 197.12955 149.8
[M+NH4]+ 216.17065 167.6
[M+K]+ 237.09999 148.9
[M+H-H2O]+ 181.13409 147.6
[M+HCOO]- 243.13503 173.4
[M+CH3COO]- 257.15068 186.1
[M+Na-2H]- 219.11150 152.5
[M]+ 198.13628 148.6
[M]- 198.13738 148.6
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