CID 122651682

2-(methoxymethyl)-1-methyl-3-nitrobenzene

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])COC
InChI
InChI=1S/C9H11NO3/c1-7-4-3-5-9(10(11)12)8(7)6-13-2/h3-5H,6H2,1-2H3
InChIKey
IZUNBHDJFCIZMU-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-1-methyl-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

181.0739 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 135.7
[M+Na]+ 204.06312 149.6
[M+NH4]+ 199.10772 144.2
[M+K]+ 220.03706 145.9
[M-H]- 180.06662 139.2
[M+Na-2H]- 202.04857 142.4
[M]+ 181.07335 138.5
[M]- 181.07445 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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Patent stripe

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