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

13
Patents

178.07423 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 135.3
[M+Na]+ 201.063448 143.6
[M-H]- 177.066954 138.3
[M+NH4]+ 196.108053 153.7
[M+K]+ 217.037388 137.7
[M+H-H2O]+ 161.071490 133.8
[M+HCOO]- 223.072431 159.1
[M+CH3COO]- 237.088081 177.3
[M+Na-2H]- 199.048896 142.0
[M]+ 178.07368142 134.0
[M]- 178.07477858 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