CID 13229129

2-methoxy-n,5-dimethylaniline hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

151.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 130.3
[M+Na]+ 174.08894 138.7
[M-H]- 150.09244 134.6
[M+NH4]+ 169.13354 151.9
[M+K]+ 190.06288 137.4
[M+H-H2O]+ 134.09698 124.8
[M+HCOO]- 196.09792 156.2
[M+CH3COO]- 210.11357 180.4
[M+Na-2H]- 172.07439 137.5
[M]+ 151.09917 131.7
[M]- 151.10027 131.7
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