CID 4715095

3-methoxy-4-methylbenzaldehyde

Structural Information

Molecular Formula
C9H10O2
SMILES
CC1=C(C=C(C=C1)C=O)OC
InChI
InChI=1S/C9H10O2/c1-7-3-4-8(6-10)5-9(7)11-2/h3-6H,1-2H3
InChIKey
TVDHPUFLDYYBPO-UHFFFAOYSA-N
Compound name
3-methoxy-4-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

384
Patents

150.06808 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 127.2
[M+Na]+ 173.05730 136.8
[M-H]- 149.06080 131.6
[M+NH4]+ 168.10190 149.1
[M+K]+ 189.03124 135.5
[M+H-H2O]+ 133.06534 122.1
[M+HCOO]- 195.06628 152.5
[M+CH3COO]- 209.08193 176.7
[M+Na-2H]- 171.04275 134.3
[M]+ 150.06753 130.2
[M]- 150.06863 130.2
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