CID 3018740

3-methylundecanal

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1640
Patents

184.18271 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.189986 148.4
[M+Na]+ 207.171928 153.2
[M-H]- 183.175434 147.7
[M+NH4]+ 202.216533 168.5
[M+K]+ 223.145868 151.8
[M+H-H2O]+ 167.179970 143.1
[M+HCOO]- 229.180911 169.7
[M+CH3COO]- 243.196561 187.4
[M+Na-2H]- 205.157376 151.1
[M]+ 184.18216142 152.1
[M]- 184.18325858 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe