CID 14121778

4-(2-methoxypropan-2-yl)benzaldehyde

Structural Information

Molecular Formula
C11H14O2
SMILES
CC(C)(C1=CC=C(C=C1)C=O)OC
InChI
InChI=1S/C11H14O2/c1-11(2,13-3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChIKey
OSRMNGFVPJAIMS-UHFFFAOYSA-N
Compound name
4-(2-methoxypropan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

178.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 137.4
[M+Na]+ 201.08860 145.7
[M-H]- 177.09210 141.4
[M+NH4]+ 196.13320 157.9
[M+K]+ 217.06254 144.2
[M+H-H2O]+ 161.09664 132.2
[M+HCOO]- 223.09758 160.5
[M+CH3COO]- 237.11323 182.0
[M+Na-2H]- 199.07405 144.7
[M]+ 178.09883 140.2
[M]- 178.09993 140.2
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