CID 20479941

3-methoxy-2,4-dimethylaniline

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=C(C(=C(C=C1)N)C)OC
InChI
InChI=1S/C9H13NO/c1-6-4-5-8(10)7(2)9(6)11-3/h4-5H,10H2,1-3H3
InChIKey
MHHZFZZHPGFUBO-UHFFFAOYSA-N
Compound name
3-methoxy-2,4-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

151.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 130.5
[M+Na]+ 174.08894 139.9
[M-H]- 150.09244 134.7
[M+NH4]+ 169.13354 152.1
[M+K]+ 190.06288 138.2
[M+H-H2O]+ 134.09698 125.3
[M+HCOO]- 196.09792 155.7
[M+CH3COO]- 210.11357 180.9
[M+Na-2H]- 172.07439 135.9
[M]+ 151.09917 131.3
[M]- 151.10027 131.3
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