CID 18360

3101-60-8

Structural Information

Molecular Formula
C13H18O2
SMILES
CC(C)(C)C1=CC=C(C=C1)OCC2CO2
InChI
InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3
InChIKey
HHRACYLRBOUBKM-UHFFFAOYSA-N
Compound name
2-[(4-tert-butylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

12220
Patents

206.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 145.1
[M+Na]+ 229.11990 154.3
[M-H]- 205.12340 153.6
[M+NH4]+ 224.16450 158.6
[M+K]+ 245.09384 153.3
[M+H-H2O]+ 189.12794 138.6
[M+HCOO]- 251.12888 166.9
[M+CH3COO]- 265.14453 189.8
[M+Na-2H]- 227.10535 152.8
[M]+ 206.13013 150.9
[M]- 206.13123 150.9
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