CID 106963

Ambroprene

Structural Information

Molecular Formula
C15H24O
SMILES
CC12CCCC3(C1(CCC4C3(O4)C)C)CC2
InChI
InChI=1S/C15H24O/c1-12-6-4-7-15(10-9-12)13(12,2)8-5-11-14(15,3)16-11/h11H,4-10H2,1-3H3
InChIKey
HDKRRWIYNADEKA-UHFFFAOYSA-N
Compound name
2,7,8-trimethyl-3-oxatetracyclo[6.3.2.01,7.02,4]tridecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 153.7
[M+Na]+ 243.171928 162.6
[M-H]- 219.175434 160.8
[M+NH4]+ 238.216533 177.5
[M+K]+ 259.145868 162.3
[M+H-H2O]+ 203.179970 149.0
[M+HCOO]- 265.180911 165.7
[M+CH3COO]- 279.196561 165.7
[M+Na-2H]- 241.157376 160.9
[M]+ 220.18216142 154.5
[M]- 220.18325858 154.5
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