CID 11961584

4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1(OCCO1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C11H12O3/c1-11(13-6-7-14-11)10-4-2-9(8-12)3-5-10/h2-5,8H,6-7H2,1H3
InChIKey
QCBSHOMDNLCSSL-UHFFFAOYSA-N
Compound name
4-(2-methyl-1,3-dioxolan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

192.07864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 138.1
[M+Na]+ 215.06786 146.2
[M-H]- 191.07136 146.3
[M+NH4]+ 210.11246 158.6
[M+K]+ 231.04180 146.8
[M+H-H2O]+ 175.07590 133.0
[M+HCOO]- 237.07684 160.5
[M+CH3COO]- 251.09249 179.7
[M+Na-2H]- 213.05331 145.7
[M]+ 192.07809 139.7
[M]- 192.07919 139.7
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