CID 57463

3-methoxy-4-(methoxymethoxy)aniline

Structural Information

Molecular Formula
C9H13NO3
SMILES
COCOC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C9H13NO3/c1-11-6-13-8-4-3-7(10)5-9(8)12-2/h3-5H,6,10H2,1-2H3
InChIKey
JSTQKCCQSWAQSN-UHFFFAOYSA-N
Compound name
3-methoxy-4-(methoxymethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 137.0
[M+Na]+ 206.07876 145.2
[M-H]- 182.08226 140.7
[M+NH4]+ 201.12336 156.8
[M+K]+ 222.05270 144.5
[M+H-H2O]+ 166.08680 130.9
[M+HCOO]- 228.08774 162.6
[M+CH3COO]- 242.10339 183.9
[M+Na-2H]- 204.06421 143.0
[M]+ 183.08899 140.2
[M]- 183.09009 140.2
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

No patent data available for this compound.