CID 226702

5-methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C16H24O
SMILES
CC1=CC2=C(C(=C1)OC)C(CCC2(C)C)(C)C
InChI
InChI=1S/C16H24O/c1-11-9-12-14(13(10-11)17-6)16(4,5)8-7-15(12,2)3/h9-10H,7-8H2,1-6H3
InChIKey
ZHZCSOFYUGAJBH-UHFFFAOYSA-N
Compound name
5-methoxy-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

232.18271 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 151.7
[M+Na]+ 255.17193 161.3
[M-H]- 231.17543 157.0
[M+NH4]+ 250.21653 175.9
[M+K]+ 271.14587 158.5
[M+H-H2O]+ 215.17997 146.9
[M+HCOO]- 277.18091 171.2
[M+CH3COO]- 291.19656 196.4
[M+Na-2H]- 253.15738 157.2
[M]+ 232.18216 153.7
[M]- 232.18326 153.7
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