CID 67042928

1269438-44-9

Structural Information

Molecular Formula
C9H10N2O2
SMILES
CC1=C(C(=NC=C1)C(=C)C)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O2/c1-6(2)8-9(11(12)13)7(3)4-5-10-8/h4-5H,1H2,2-3H3
InChIKey
NTLCFVKVWHICEX-UHFFFAOYSA-N
Compound name
4-methyl-3-nitro-2-prop-1-en-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

178.07423 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 135.3
[M+Na]+ 201.06345 143.6
[M-H]- 177.06695 138.3
[M+NH4]+ 196.10805 153.7
[M+K]+ 217.03739 137.7
[M+H-H2O]+ 161.07149 133.8
[M+HCOO]- 223.07243 159.1
[M+CH3COO]- 237.08808 177.3
[M+Na-2H]- 199.04890 142.0
[M]+ 178.07368 134.0
[M]- 178.07478 134.0
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

patents stripe