CID 20120568

927803-13-2

Structural Information

Molecular Formula
C12H17NO2
SMILES
C1CC(OC1)COCC2=CC(=CC=C2)N
InChI
InChI=1S/C12H17NO2/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1,3-4,7,12H,2,5-6,8-9,13H2
InChIKey
POJRATSCRJVQEK-UHFFFAOYSA-N
Compound name
3-(oxolan-2-ylmethoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 146.0
[M+Na]+ 230.11515 151.4
[M-H]- 206.11865 152.3
[M+NH4]+ 225.15975 164.6
[M+K]+ 246.08909 150.1
[M+H-H2O]+ 190.12319 139.3
[M+HCOO]- 252.12413 168.9
[M+CH3COO]- 266.13978 185.9
[M+Na-2H]- 228.10060 150.3
[M]+ 207.12538 144.5
[M]- 207.12648 144.5
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

No patent data available for this compound.