CID 19697866

177200-76-9

Structural Information

Molecular Formula
C12H16O2
SMILES
C1CC1(CO)COCC2=CC=CC=C2
InChI
InChI=1S/C12H16O2/c13-9-12(6-7-12)10-14-8-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKey
KBGZAPJNEFMKKZ-UHFFFAOYSA-N
Compound name
[1-(phenylmethoxymethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

192.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 141.8
[M+Na]+ 215.10426 150.2
[M-H]- 191.10776 148.1
[M+NH4]+ 210.14886 157.7
[M+K]+ 231.07820 147.9
[M+H-H2O]+ 175.11230 136.1
[M+HCOO]- 237.11324 164.7
[M+CH3COO]- 251.12889 183.2
[M+Na-2H]- 213.08971 149.6
[M]+ 192.11449 145.4
[M]- 192.11559 145.4
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

patents stripe