CID 213848

1,8-octanediol, 2,2,7,7-tetramethyl-

Structural Information

Molecular Formula
C12H26O2
SMILES
CC(C)(CCCCC(C)(C)CO)CO
InChI
InChI=1S/C12H26O2/c1-11(2,9-13)7-5-6-8-12(3,4)10-14/h13-14H,5-10H2,1-4H3
InChIKey
SMYWXTFVRVVDGL-UHFFFAOYSA-N
Compound name
2,2,7,7-tetramethyloctane-1,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

202.19328 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.20056 151.6
[M+Na]+ 225.18250 159.3
[M+NH4]+ 220.22710 157.7
[M+K]+ 241.15644 155.1
[M-H]- 201.18600 148.7
[M+Na-2H]- 223.16795 152.9
[M]+ 202.19273 151.7
[M]- 202.19383 151.7
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