CID 11073501

(e)-cyclooct-1-enecarbaldehyde

Structural Information

Molecular Formula
C9H14O
SMILES
C1CCC/C(=C\CC1)/C=O
InChI
InChI=1S/C9H14O/c10-8-9-6-4-2-1-3-5-7-9/h6,8H,1-5,7H2/b9-6+
InChIKey
TZBOAAPYTXFCMK-RMKNXTFCSA-N
Compound name
(1E)-cyclooctene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

138.10446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 139.8
[M+Na]+ 161.09368 144.2
[M-H]- 137.09718 141.5
[M+NH4]+ 156.13828 149.6
[M+K]+ 177.06762 144.8
[M+H-H2O]+ 121.10172 136.6
[M+HCOO]- 183.10266 149.7
[M+CH3COO]- 197.11831 217.8
[M+Na-2H]- 159.07913 141.2
[M]+ 138.10391 138.4
[M]- 138.10501 138.4
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