CID 139977

3-methoxy-n,n-dimethylaniline

Structural Information

Molecular Formula
C9H13NO
SMILES
CN(C)C1=CC(=CC=C1)OC
InChI
InChI=1S/C9H13NO/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H,1-3H3
InChIKey
MOYHVSKDHLMMPS-UHFFFAOYSA-N
Compound name
3-methoxy-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

535
Patents

151.09972 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 130.5
[M+Na]+ 174.08894 138.2
[M-H]- 150.09244 136.0
[M+NH4]+ 169.13354 152.5
[M+K]+ 190.06288 138.3
[M+H-H2O]+ 134.09698 124.6
[M+HCOO]- 196.09792 156.9
[M+CH3COO]- 210.11357 182.8
[M+Na-2H]- 172.07439 137.7
[M]+ 151.09917 132.8
[M]- 151.10027 132.8
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