CID 10942557

2-[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde

Structural Information

Molecular Formula
C7H12O3
SMILES
CC1(OC[C@H](O1)CC=O)C
InChI
InChI=1S/C7H12O3/c1-7(2)9-5-6(10-7)3-4-8/h4,6H,3,5H2,1-2H3/t6-/m1/s1
InChIKey
BASUVKNKERZYGZ-ZCFIWIBFSA-N
Compound name
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

144.07864 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 126.1
[M+Na]+ 167.06786 134.4
[M-H]- 143.07136 131.1
[M+NH4]+ 162.11246 148.9
[M+K]+ 183.04180 136.5
[M+H-H2O]+ 127.07590 122.7
[M+HCOO]- 189.07684 148.1
[M+CH3COO]- 203.09249 172.1
[M+Na-2H]- 165.05331 134.0
[M]+ 144.07809 128.7
[M]- 144.07919 128.7
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