CID 13918856

Cedryl acetate

Structural Information

Molecular Formula
C17H28O2
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)OC(=O)C
InChI
InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17+/m1/s1
InChIKey
HQKQRXZEXPXXIG-DTWJZALFSA-N
Compound name
[(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

209
Patents

264.20892 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 165.0
[M+Na]+ 287.19814 172.4
[M-H]- 263.20164 169.1
[M+NH4]+ 282.24274 193.7
[M+K]+ 303.17208 168.7
[M+H-H2O]+ 247.20618 161.8
[M+HCOO]- 309.20712 180.1
[M+CH3COO]- 323.22277 199.5
[M+Na-2H]- 285.18359 166.0
[M]+ 264.20837 164.9
[M]- 264.20947 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe