CID 25076551

93980-72-4

Structural Information

Molecular Formula
C14H26O
SMILES
CC1=CCCC(C1CC(C)C(C)O)(C)C
InChI
InChI=1S/C14H26O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,11-13,15H,6,8-9H2,1-5H3
InChIKey
AXHHYECTTZUORY-UHFFFAOYSA-N
Compound name
3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.19836 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 151.8
[M+Na]+ 233.187578 157.0
[M-H]- 209.191084 153.7
[M+NH4]+ 228.232183 172.5
[M+K]+ 249.161518 155.3
[M+H-H2O]+ 193.195620 147.5
[M+HCOO]- 255.196561 168.6
[M+CH3COO]- 269.212211 190.1
[M+Na-2H]- 231.173026 152.3
[M]+ 210.19781142 150.1
[M]- 210.19890858 150.1
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