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

67
Patents

193.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 141.6
[M+Na]+ 216.099498 146.5
[M-H]- 192.103004 147.8
[M+NH4]+ 211.144103 158.8
[M+K]+ 232.073438 145.6
[M+H-H2O]+ 176.107540 134.4
[M+HCOO]- 238.108481 162.6
[M+CH3COO]- 252.124131 183.4
[M+Na-2H]- 214.084946 147.8
[M]+ 193.10973142 137.5
[M]- 193.11082858 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