CID 92646

3,7-dimethyl-2-octenal

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)CCCC(=CC=O)C
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h7-9H,4-6H2,1-3H3
InChIKey
RQRZJFGMCFXEQO-UHFFFAOYSA-N
Compound name
3,7-dimethyloct-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

154.13577 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 137.7
[M+Na]+ 177.124988 143.6
[M-H]- 153.128494 137.7
[M+NH4]+ 172.169593 159.0
[M+K]+ 193.098928 142.6
[M+H-H2O]+ 137.133030 133.1
[M+HCOO]- 199.133971 158.9
[M+CH3COO]- 213.149621 180.5
[M+Na-2H]- 175.110436 140.3
[M]+ 154.13522142 139.2
[M]- 154.13631858 139.2
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