CID 21149566

74981-29-6

Structural Information

Molecular Formula
C15H28O
SMILES
CCCC(CCC1CC=C(C1(C)C)C)CO
InChI
InChI=1S/C15H28O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7,13-14,16H,5-6,8-11H2,1-4H3
InChIKey
GRZGHPUCFCQWND-UHFFFAOYSA-N
Compound name
2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.21402 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 157.3
[M+Na]+ 247.20324 163.2
[M-H]- 223.20674 159.1
[M+NH4]+ 242.24784 179.3
[M+K]+ 263.17718 160.4
[M+H-H2O]+ 207.21128 152.9
[M+HCOO]- 269.21222 176.8
[M+CH3COO]- 283.22787 192.0
[M+Na-2H]- 245.18869 157.3
[M]+ 224.21347 158.6
[M]- 224.21457 158.6
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.