CID 13139420

2-(methoxymethoxy)aniline

Structural Information

Molecular Formula
C8H11NO2
SMILES
COCOC1=CC=CC=C1N
InChI
InChI=1S/C8H11NO2/c1-10-6-11-8-5-3-2-4-7(8)9/h2-5H,6,9H2,1H3
InChIKey
LYGCQZLDQUCOIJ-UHFFFAOYSA-N
Compound name
2-(methoxymethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

153.07898 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 129.7
[M+Na]+ 176.068198 137.5
[M-H]- 152.071704 133.2
[M+NH4]+ 171.112803 150.5
[M+K]+ 192.042138 136.5
[M+H-H2O]+ 136.076240 123.8
[M+HCOO]- 198.077181 155.5
[M+CH3COO]- 212.092831 177.6
[M+Na-2H]- 174.053646 137.0
[M]+ 153.07843142 130.7
[M]- 153.07952858 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

No literature data available for this compound.

Patent stripe

patents stripe