CID 6438291

4-tricyclodecylidene butanal

Structural Information

Molecular Formula
C14H20O
SMILES
C1CC2C(C1)C\3CC2C/C3=C\CCC=O
InChI
InChI=1S/C14H20O/c15-7-2-1-4-10-8-11-9-14(10)13-6-3-5-12(11)13/h4,7,11-14H,1-3,5-6,8-9H2/b10-4+
InChIKey
WFEISWUNAJPLRX-ONNFQVAWSA-N
Compound name
(4E)-4-(8-tricyclo[5.2.1.02,6]decanylidene)butanal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2188
Patents

204.15141 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 154.3
[M+Na]+ 227.14063 160.6
[M-H]- 203.14413 157.5
[M+NH4]+ 222.18523 181.1
[M+K]+ 243.11457 156.5
[M+H-H2O]+ 187.14867 150.5
[M+HCOO]- 249.14961 173.4
[M+CH3COO]- 263.16526 187.2
[M+Na-2H]- 225.12608 153.5
[M]+ 204.15086 152.5
[M]- 204.15196 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe