CID 14098278

2-methyl-6-nitrobenzaldehyde

Structural Information

Molecular Formula
C8H7NO3
SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])C=O
InChI
InChI=1S/C8H7NO3/c1-6-3-2-4-8(9(11)12)7(6)5-10/h2-5H,1H3
InChIKey
LBHWNZFYCKTRFN-UHFFFAOYSA-N
Compound name
2-methyl-6-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

165.04259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 130.4
[M+Na]+ 188.03181 144.5
[M+NH4]+ 183.07641 138.8
[M+K]+ 204.00575 141.0
[M-H]- 164.03531 133.7
[M+Na-2H]- 186.01726 137.3
[M]+ 165.04204 133.2
[M]- 165.04314 133.2
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