CID 107166

Ambrox dl

Structural Information

Molecular Formula
C16H28O
SMILES
CC1(CCCC2(C1CCC3(C2CCO3)C)C)C
InChI
InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3
InChIKey
YPZUZOLGGMJZJO-UHFFFAOYSA-N
Compound name
3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

18
References

13132
Patents

236.21402 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 157.2
[M+Na]+ 259.20324 163.4
[M-H]- 235.20674 162.1
[M+NH4]+ 254.24784 183.5
[M+K]+ 275.17718 160.9
[M+H-H2O]+ 219.21128 152.2
[M+HCOO]- 281.21222 170.2
[M+CH3COO]- 295.22787 168.7
[M+Na-2H]- 257.18869 161.6
[M]+ 236.21347 152.8
[M]- 236.21457 152.8
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