CID 42608206

3-gymnomitren-15-al

Structural Information

Molecular Formula
C15H22O
SMILES
C[C@@]12CCC[C@]1([C@@]3(CC=C([C@H]2C3)C=O)C)C
InChI
InChI=1S/C15H22O/c1-13-8-5-11(10-16)12(9-13)14(2)6-4-7-15(13,14)3/h5,10,12H,4,6-9H2,1-3H3/t12-,13-,14+,15+/m1/s1
InChIKey
GVADVPQNXLRSBB-KBXIAJHMSA-N
Compound name
(1R,2S,6S,7S)-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-8-ene-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 153.2
[M+Na]+ 241.15629 162.4
[M-H]- 217.15979 157.2
[M+NH4]+ 236.20089 184.0
[M+K]+ 257.13023 157.6
[M+H-H2O]+ 201.16433 149.5
[M+HCOO]- 263.16527 171.2
[M+CH3COO]- 277.18092 166.3
[M+Na-2H]- 239.14174 157.8
[M]+ 218.16652 152.8
[M]- 218.16762 152.8
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

No patent data available for this compound.