CID 107334

Cyclamen alcohol

Structural Information

Molecular Formula
C13H20O
SMILES
CC(C)C1=CC=C(C=C1)CC(C)CO
InChI
InChI=1S/C13H20O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,10-11,14H,8-9H2,1-3H3
InChIKey
RQRYGVZUUYYXGA-UHFFFAOYSA-N
Compound name
2-methyl-3-(4-propan-2-ylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

223
Patents

192.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 146.2
[M+Na]+ 215.14063 151.9
[M-H]- 191.14413 148.2
[M+NH4]+ 210.18523 165.3
[M+K]+ 231.11457 149.6
[M+H-H2O]+ 175.14867 140.5
[M+HCOO]- 237.14961 166.1
[M+CH3COO]- 251.16526 185.7
[M+Na-2H]- 213.12608 148.6
[M]+ 192.15086 146.2
[M]- 192.15196 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe