CID 13483062

3-(methoxymethoxy)aniline

Structural Information

Molecular Formula
C8H11NO2
SMILES
COCOC1=CC=CC(=C1)N
InChI
InChI=1S/C8H11NO2/c1-10-6-11-8-4-2-3-7(9)5-8/h2-5H,6,9H2,1H3
InChIKey
LYUGTXVKEWULGQ-UHFFFAOYSA-N
Compound name
3-(methoxymethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

153.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 129.7
[M+Na]+ 176.06820 137.5
[M-H]- 152.07170 133.2
[M+NH4]+ 171.11280 150.5
[M+K]+ 192.04214 136.5
[M+H-H2O]+ 136.07624 123.8
[M+HCOO]- 198.07718 155.5
[M+CH3COO]- 212.09283 177.6
[M+Na-2H]- 174.05365 137.0
[M]+ 153.07843 130.7
[M]- 153.07953 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe