CID 61031

2-methylundecanal

Structural Information

Molecular Formula
C12H24O
SMILES
CCCCCCCCCC(C)C=O
InChI
InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3
InChIKey
NFAVNWJJYQAGNB-UHFFFAOYSA-N
Compound name
2-methylundecanal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

11204
Patents

184.18271 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.18999 147.2
[M+Na]+ 207.17193 156.9
[M+NH4]+ 202.21653 154.7
[M+K]+ 223.14587 149.7
[M-H]- 183.17543 146.8
[M+Na-2H]- 205.15738 150.0
[M]+ 184.18216 148.3
[M]- 184.18326 148.3
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