CID 28945829

[2-(cyclopropylmethoxy)phenyl]methanol

Structural Information

Molecular Formula
C11H14O2
SMILES
C1CC1COC2=CC=CC=C2CO
InChI
InChI=1S/C11H14O2/c12-7-10-3-1-2-4-11(10)13-8-9-5-6-9/h1-4,9,12H,5-8H2
InChIKey
GQSHMJMOKOYLBA-UHFFFAOYSA-N
Compound name
[2-(cyclopropylmethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

178.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 135.7
[M+Na]+ 201.08860 144.7
[M-H]- 177.09210 142.1
[M+NH4]+ 196.13320 150.6
[M+K]+ 217.06254 141.7
[M+H-H2O]+ 161.09664 129.4
[M+HCOO]- 223.09758 159.2
[M+CH3COO]- 237.11323 181.8
[M+Na-2H]- 199.07405 142.4
[M]+ 178.09883 138.9
[M]- 178.09993 138.9
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