CID 44149689

Octahydro-alpha-methyl-4,7-methano-1h-indene-5-propionaldehyde

Structural Information

Molecular Formula
C14H22O
SMILES
CC(CC1CC2CC1C3C2CCC3)C=O
InChI
InChI=1S/C14H22O/c1-9(8-15)5-10-6-11-7-14(10)13-4-2-3-12(11)13/h8-14H,2-7H2,1H3
InChIKey
VNKKGPNWAJUTKI-UHFFFAOYSA-N
Compound name
2-methyl-3-(8-tricyclo[5.2.1.02,6]decanyl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 156.3
[M+Na]+ 229.156288 161.9
[M-H]- 205.159794 159.5
[M+NH4]+ 224.200893 182.9
[M+K]+ 245.130228 158.8
[M+H-H2O]+ 189.164330 152.6
[M+HCOO]- 251.165271 174.2
[M+CH3COO]- 265.180921 189.5
[M+Na-2H]- 227.141736 154.2
[M]+ 206.16652142 154.6
[M]- 206.16761858 154.6
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.