CID 11333582

Trans-13-methyltetradec-2-enal

Structural Information

Molecular Formula
C15H28O
SMILES
CC(C)CCCCCCCCC/C=C/C=O
InChI
InChI=1S/C15H28O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h10,12,14-15H,3-9,11,13H2,1-2H3/b12-10+
InChIKey
XCQVBFWYULNOQE-ZRDIBKRKSA-N
Compound name
(E)-13-methyltetradec-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

224.21402 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 160.6
[M+Na]+ 247.20324 164.6
[M-H]- 223.20674 159.5
[M+NH4]+ 242.24784 179.1
[M+K]+ 263.17718 161.8
[M+H-H2O]+ 207.21128 154.9
[M+HCOO]- 269.21222 181.2
[M+CH3COO]- 283.22787 194.8
[M+Na-2H]- 245.18869 161.7
[M]+ 224.21347 164.7
[M]- 224.21457 164.7
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

No patent data available for this compound.