CID 111442

1-nonanol, 2,4,6,8-tetramethyl-, acetate

Structural Information

Molecular Formula
C15H30O2
SMILES
CC(C)CC(C)CC(C)CC(C)COC(=O)C
InChI
InChI=1S/C15H30O2/c1-11(2)7-12(3)8-13(4)9-14(5)10-17-15(6)16/h11-14H,7-10H2,1-6H3
InChIKey
AMLPNPAJXVKDCP-UHFFFAOYSA-N
Compound name
2,4,6,8-tetramethylnonyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

242.22458 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.231856 165.7
[M+Na]+ 265.213798 168.6
[M-H]- 241.217304 164.9
[M+NH4]+ 260.258403 183.3
[M+K]+ 281.187738 168.7
[M+H-H2O]+ 225.221840 160.1
[M+HCOO]- 287.222781 182.3
[M+CH3COO]- 301.238431 201.0
[M+Na-2H]- 263.199246 161.8
[M]+ 242.22403142 169.3
[M]- 242.22512858 169.3
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