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
2
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]+ 233.18999 155.0
[M+Na]+ 255.17193 164.2
[M-H]- 231.17543 159.8
[M+NH4]+ 250.21653 185.1
[M+K]+ 271.14587 159.5
[M+H-H2O]+ 215.17997 151.5
[M+HCOO]- 277.18091 172.9
[M+CH3COO]- 291.19656 194.0
[M+Na-2H]- 253.15738 158.3
[M]+ 232.18216 155.3
[M]- 232.18326 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.