CID 11052481

4-[2-(cyclopropylmethoxy)ethyl]phenol

Structural Information

Molecular Formula
C12H16O2
SMILES
C1CC1COCCC2=CC=C(C=C2)O
InChI
InChI=1S/C12H16O2/c13-12-5-3-10(4-6-12)7-8-14-9-11-1-2-11/h3-6,11,13H,1-2,7-9H2
InChIKey
WNEQFDSWDCYKOE-UHFFFAOYSA-N
Compound name
4-[2-(cyclopropylmethoxy)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42
Patents

192.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 140.0
[M+Na]+ 215.10426 148.5
[M-H]- 191.10776 146.2
[M+NH4]+ 210.14886 154.3
[M+K]+ 231.07820 145.3
[M+H-H2O]+ 175.11230 133.4
[M+HCOO]- 237.11324 163.2
[M+CH3COO]- 251.12889 184.7
[M+Na-2H]- 213.08971 146.2
[M]+ 192.11449 143.5
[M]- 192.11559 143.5
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