CID 109183

2-methylundecanal dimethyl acetal

Structural Information

Molecular Formula
C14H30O2
SMILES
CCCCCCCCCC(C)C(OC)OC
InChI
InChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-12-13(2)14(15-3)16-4/h13-14H,5-12H2,1-4H3
InChIKey
NJXYRZMLVYMJHM-UHFFFAOYSA-N
Compound name
1,1-dimethoxy-2-methylundecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

307
Patents

230.22458 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.231856 163.0
[M+Na]+ 253.213798 166.5
[M-H]- 229.217304 162.0
[M+NH4]+ 248.258403 181.2
[M+K]+ 269.187738 166.0
[M+H-H2O]+ 213.221840 157.0
[M+HCOO]- 275.222781 182.7
[M+CH3COO]- 289.238431 196.9
[M+Na-2H]- 251.199246 163.2
[M]+ 230.22403142 169.0
[M]- 230.22512858 169.0
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