CID 92278859

Einecs 263-252-2

Structural Information

Molecular Formula
C16H24O
SMILES
CC1(CCC(=C2[C@@]13CC[C@@H](C3)C2(C)C)C=O)C
InChI
InChI=1S/C16H24O/c1-14(2)7-5-11(10-17)13-15(3,4)12-6-8-16(13,14)9-12/h10,12H,5-9H2,1-4H3/t12-,16-/m0/s1
InChIKey
VXQBLEIANTXQDP-LRDDRELGSA-N
Compound name
(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 155.0
[M+Na]+ 255.171928 164.2
[M-H]- 231.175434 159.8
[M+NH4]+ 250.216533 185.1
[M+K]+ 271.145868 159.5
[M+H-H2O]+ 215.179970 151.5
[M+HCOO]- 277.180911 172.9
[M+CH3COO]- 291.196561 194.0
[M+Na-2H]- 253.157376 158.3
[M]+ 232.18216142 155.3
[M]- 232.18325858 155.3
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.