CID 105408106

3-cyclopropyl-4-methylbenzaldehyde

Structural Information

Molecular Formula
C11H12O
SMILES
CC1=C(C=C(C=C1)C=O)C2CC2
InChI
InChI=1S/C11H12O/c1-8-2-3-9(7-12)6-11(8)10-4-5-10/h2-3,6-7,10H,4-5H2,1H3
InChIKey
SJYXPKLIUGUXOG-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

160.08882 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 131.3
[M+Na]+ 183.07804 141.9
[M-H]- 159.08154 139.5
[M+NH4]+ 178.12264 147.8
[M+K]+ 199.05198 138.8
[M+H-H2O]+ 143.08608 125.1
[M+HCOO]- 205.08702 156.2
[M+CH3COO]- 219.10267 182.7
[M+Na-2H]- 181.06349 137.8
[M]+ 160.08827 134.5
[M]- 160.08937 134.5
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