CID 24229526

4-(oxan-4-yloxy)aniline

Structural Information

Molecular Formula
C11H15NO2
SMILES
C1COCCC1OC2=CC=C(C=C2)N
InChI
InChI=1S/C11H15NO2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11H,5-8,12H2
InChIKey
CCIFXNITZHWCRR-UHFFFAOYSA-N
Compound name
4-(oxan-4-yloxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

193.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 141.6
[M+Na]+ 216.09950 146.5
[M-H]- 192.10300 147.8
[M+NH4]+ 211.14410 158.8
[M+K]+ 232.07344 145.6
[M+H-H2O]+ 176.10754 134.4
[M+HCOO]- 238.10848 162.6
[M+CH3COO]- 252.12413 183.4
[M+Na-2H]- 214.08495 147.8
[M]+ 193.10973 137.5
[M]- 193.11083 137.5
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

patents stripe