CID 127899

4-methoxy-2,3,5-trimethylpyridine

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=CN=C(C(=C1OC)C)C
InChI
InChI=1S/C9H13NO/c1-6-5-10-8(3)7(2)9(6)11-4/h5H,1-4H3
InChIKey
LELDJUYQEMKHJH-UHFFFAOYSA-N
Compound name
4-methoxy-2,3,5-trimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

131
Patents

151.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 129.6
[M+Na]+ 174.08894 140.0
[M-H]- 150.09244 132.9
[M+NH4]+ 169.13354 150.6
[M+K]+ 190.06288 138.6
[M+H-H2O]+ 134.09698 123.9
[M+HCOO]- 196.09792 153.2
[M+CH3COO]- 210.11357 179.4
[M+Na-2H]- 172.07439 136.0
[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