CID 3023983

Rvymptprzxbdof-uhfffaoysa-n

Structural Information

Molecular Formula
C13H22O
SMILES
CC1=CCCC(C1=CC(C)CO)(C)C
InChI
InChI=1S/C13H22O/c1-10(9-14)8-12-11(2)6-5-7-13(12,3)4/h6,8,10,14H,5,7,9H2,1-4H3
InChIKey
RVYMPTPRZXBDOF-UHFFFAOYSA-N
Compound name
2-methyl-3-(2,6,6-trimethylcyclohex-2-en-1-ylidene)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 146.1
[M+Na]+ 217.156288 152.3
[M-H]- 193.159794 148.2
[M+NH4]+ 212.200893 167.5
[M+K]+ 233.130228 149.7
[M+H-H2O]+ 177.164330 141.8
[M+HCOO]- 239.165271 164.4
[M+CH3COO]- 253.180921 184.7
[M+Na-2H]- 215.141736 148.4
[M]+ 194.16652142 143.8
[M]- 194.16761858 143.8
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.