CID 10722

2-methylbenzaldehyde

Structural Information

Molecular Formula
C8H8O
SMILES
CC1=CC=CC=C1C=O
InChI
InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3
InChIKey
BTFQKIATRPGRBS-UHFFFAOYSA-N
Compound name
2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

46
References

17560
Patents

120.05752 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.06480 121.6
[M+Na]+ 143.04674 135.8
[M+NH4]+ 138.09134 131.2
[M+K]+ 159.02068 128.6
[M-H]- 119.05024 124.5
[M+Na-2H]- 141.03219 130.0
[M]+ 120.05697 124.5
[M]- 120.05807 124.5
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