CID 6439123

Maniwamycin b

Structural Information

Molecular Formula
C10H20N2O2
SMILES
CCCC/C=C/[N+](=N[C@@H](C)[C@H](C)O)[O-]
InChI
InChI=1S/C10H20N2O2/c1-4-5-6-7-8-12(14)11-9(2)10(3)13/h7-10,13H,4-6H2,1-3H3/b8-7+,12-11?/t9-,10-/m0/s1
InChIKey
YSGFBXZSDXVSLM-IZPMOTALSA-N
Compound name
[(E)-hex-1-enyl]-[(2S,3S)-3-hydroxybutan-2-yl]imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

200.15248 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.15976 150.0
[M+Na]+ 223.14170 154.1
[M-H]- 199.14520 149.8
[M+NH4]+ 218.18630 168.3
[M+K]+ 239.11564 149.2
[M+H-H2O]+ 183.14974 149.1
[M+HCOO]- 245.15068 173.1
[M+CH3COO]- 259.16633 184.3
[M+Na-2H]- 221.12715 153.4
[M]+ 200.15193 148.8
[M]- 200.15303 148.8
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