CID 166894

13720-37-1

Structural Information

Molecular Formula
C13H24O
SMILES
CC1=CCCC(C1CCC(C)O)(C)C
InChI
InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,11-12,14H,5,7-9H2,1-4H3
InChIKey
OTXZMHLBFXFVPP-UHFFFAOYSA-N
Compound name
4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

196.18271 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 147.5
[M+Na]+ 219.17193 153.3
[M-H]- 195.17543 149.5
[M+NH4]+ 214.21653 168.8
[M+K]+ 235.14587 151.3
[M+H-H2O]+ 179.17997 143.1
[M+HCOO]- 241.18091 165.6
[M+CH3COO]- 255.19656 186.2
[M+Na-2H]- 217.15738 149.7
[M]+ 196.18216 146.0
[M]- 196.18326 146.0
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