CID 9588856

145427-95-8

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C#CCO/N=C/C1=CCCN(C1)O
InChI
InChI=1S/C9H12N2O2/c1-2-6-13-10-7-9-4-3-5-11(12)8-9/h1,4,7,12H,3,5-6,8H2/b10-7+
InChIKey
RHASIDIDKFUYMK-JXMROGBWSA-N
Compound name
(E)-1-(1-hydroxy-3,6-dihydro-2H-pyridin-5-yl)-N-prop-2-ynoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 136.4
[M+Na]+ 203.07909 144.6
[M-H]- 179.08259 136.6
[M+NH4]+ 198.12369 152.5
[M+K]+ 219.05303 141.7
[M+H-H2O]+ 163.08713 123.5
[M+HCOO]- 225.08807 152.8
[M+CH3COO]- 239.10372 189.6
[M+Na-2H]- 201.06454 141.4
[M]+ 180.08932 129.7
[M]- 180.09042 129.7
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.