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

0
Patents

210.19836 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.20564 151.8
[M+Na]+ 233.18758 157.0
[M-H]- 209.19108 153.7
[M+NH4]+ 228.23218 172.5
[M+K]+ 249.16152 155.3
[M+H-H2O]+ 193.19562 147.5
[M+HCOO]- 255.19656 168.6
[M+CH3COO]- 269.21221 190.1
[M+Na-2H]- 231.17303 152.3
[M]+ 210.19781 150.1
[M]- 210.19891 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

No patent data available for this compound.