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

50
Patents

192.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 141.8
[M+Na]+ 215.104258 150.2
[M-H]- 191.107764 148.1
[M+NH4]+ 210.148863 157.7
[M+K]+ 231.078198 147.9
[M+H-H2O]+ 175.112300 136.1
[M+HCOO]- 237.113241 164.7
[M+CH3COO]- 251.128891 183.2
[M+Na-2H]- 213.089706 149.6
[M]+ 192.11449142 145.4
[M]- 192.11558858 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