CID 18070089

1016764-34-3

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1CCOC(C1)COCC2=CC(=CC=C2)N
InChI
InChI=1S/C13H19NO2/c14-12-5-3-4-11(8-12)9-15-10-13-6-1-2-7-16-13/h3-5,8,13H,1-2,6-7,9-10,14H2
InChIKey
XHUFKKHHDLIONK-UHFFFAOYSA-N
Compound name
3-(oxan-2-ylmethoxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 150.8
[M+Na]+ 244.13081 154.9
[M-H]- 220.13431 156.6
[M+NH4]+ 239.17541 166.8
[M+K]+ 260.10475 153.4
[M+H-H2O]+ 204.13885 143.2
[M+HCOO]- 266.13979 171.2
[M+CH3COO]- 280.15544 189.4
[M+Na-2H]- 242.11626 155.9
[M]+ 221.14104 147.4
[M]- 221.14214 147.4
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

No patent data available for this compound.