CID 13042032

3-(methoxymethyl)aniline

Structural Information

Molecular Formula
C8H11NO
SMILES
COCC1=CC(=CC=C1)N
InChI
InChI=1S/C8H11NO/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6,9H2,1H3
InChIKey
IRMGVBTVFRYBGN-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

137.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 126.6
[M+Na]+ 160.07328 134.5
[M-H]- 136.07678 130.1
[M+NH4]+ 155.11788 148.1
[M+K]+ 176.04722 133.0
[M+H-H2O]+ 120.08132 121.0
[M+HCOO]- 182.08226 152.2
[M+CH3COO]- 196.09791 175.5
[M+Na-2H]- 158.05873 134.0
[M]+ 137.08351 126.2
[M]- 137.08461 126.2
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