CID 88555

2,3,5-trimethylanisole

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC(=C(C(=C1)OC)C)C
InChI
InChI=1S/C10H14O/c1-7-5-8(2)9(3)10(6-7)11-4/h5-6H,1-4H3
InChIKey
AWONIZVBKXHWJP-UHFFFAOYSA-N
Compound name
1-methoxy-2,3,5-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1776
Patents

150.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 129.0
[M+Na]+ 173.09368 138.9
[M-H]- 149.09718 133.7
[M+NH4]+ 168.13828 151.4
[M+K]+ 189.06762 137.6
[M+H-H2O]+ 133.10172 124.2
[M+HCOO]- 195.10266 153.6
[M+CH3COO]- 209.11831 179.9
[M+Na-2H]- 171.07913 134.9
[M]+ 150.10391 132.0
[M]- 150.10501 132.0
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