CID 6484418

2-methoxy-3-methylbenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

150.06808 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe