CID 20210053

2-methoxy-3,5-dimethylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
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

literature stripe

Patent stripe

patents stripe