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
2
Annotation Hits

0
References

3
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 153.7
[M+Na]+ 243.17193 162.6
[M-H]- 219.17543 160.8
[M+NH4]+ 238.21653 177.5
[M+K]+ 259.14587 162.3
[M+H-H2O]+ 203.17997 149.0
[M+HCOO]- 265.18091 165.7
[M+CH3COO]- 279.19656 165.7
[M+Na-2H]- 241.15738 160.9
[M]+ 220.18216 154.5
[M]- 220.18326 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