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

4
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

patents stripe