CID 9578731

1-(((1-methyl-2-nitro-1h-imidazol-5-yl)methylene)amino)-3-piperidinol

Structural Information

Molecular Formula
C10H15N5O3
SMILES
CN1C(=CN=C1[N+](=O)[O-])/C=N/N2CCCC(C2)O
InChI
InChI=1S/C10H15N5O3/c1-13-8(5-11-10(13)15(17)18)6-12-14-4-2-3-9(16)7-14/h5-6,9,16H,2-4,7H2,1H3/b12-6+
InChIKey
WYCAFMQQQOHOJJ-WUXMJOGZSA-N
Compound name
1-[(E)-(3-methyl-2-nitroimidazol-4-yl)methylideneamino]piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1175 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12478 154.9
[M+Na]+ 276.10672 160.4
[M-H]- 252.11022 157.7
[M+NH4]+ 271.15132 168.3
[M+K]+ 292.08066 154.0
[M+H-H2O]+ 236.11476 150.2
[M+HCOO]- 298.11570 175.6
[M+CH3COO]- 312.13135 189.3
[M+Na-2H]- 274.09217 160.1
[M]+ 253.11695 150.0
[M]- 253.11805 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.