CID 44145641

81836-17-1

Structural Information

Molecular Formula
C14H18O2
SMILES
CC1=C[C@H]2[C@@H]3C[C@H]([C@H]2C1)[C@H](C3=C)OC(=O)C
InChI
InChI=1S/C14H18O2/c1-7-4-11-10-6-13(12(11)5-7)14(8(10)2)16-9(3)15/h4,10-14H,2,5-6H2,1,3H3/t10-,11+,12+,13-,14+/m1/s1
InChIKey
WRWCOPOETDQPAY-HTOAHKCRSA-N
Compound name
[(1S,2S,6S,7R,8R)-4-methyl-9-methylidene-8-tricyclo[5.2.1.02,6]dec-3-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

218.13068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 154.8
[M+Na]+ 241.11990 163.5
[M-H]- 217.12340 159.3
[M+NH4]+ 236.16450 181.7
[M+K]+ 257.09384 160.2
[M+H-H2O]+ 201.12794 152.2
[M+HCOO]- 263.12888 174.6
[M+CH3COO]- 277.14453 191.9
[M+Na-2H]- 239.10535 153.0
[M]+ 218.13013 156.2
[M]- 218.13123 156.2
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