CID 54597818

2,7-decadienal, (2e,7z)-

Structural Information

Molecular Formula
C10H16O
SMILES
CC/C=C\CCC/C=C/C=O
InChI
InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,8-10H,2,5-7H2,1H3/b4-3-,9-8+
InChIKey
QOHUWESUVWXOHP-VHPFQHCPSA-N
Compound name
(2E,7Z)-deca-2,7-dienal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

152.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 135.5
[M+Na]+ 175.10934 142.2
[M-H]- 151.11284 135.3
[M+NH4]+ 170.15394 157.0
[M+K]+ 191.08328 139.7
[M+H-H2O]+ 135.11738 130.8
[M+HCOO]- 197.11832 158.9
[M+CH3COO]- 211.13397 177.3
[M+Na-2H]- 173.09479 140.7
[M]+ 152.11957 137.6
[M]- 152.12067 137.6
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