CID 56604378

4-(oxetan-3-yloxy)aniline

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1C(CO1)OC2=CC=C(C=C2)N
InChI
InChI=1S/C9H11NO2/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9H,5-6,10H2
InChIKey
MEEYTJFWCZEPMN-UHFFFAOYSA-N
Compound name
4-(oxetan-3-yloxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

165.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 128.3
[M+Na]+ 188.068198 134.0
[M-H]- 164.071704 135.1
[M+NH4]+ 183.112803 140.5
[M+K]+ 204.042138 137.0
[M+H-H2O]+ 148.076240 116.6
[M+HCOO]- 210.077181 151.0
[M+CH3COO]- 224.092831 182.2
[M+Na-2H]- 186.053646 135.9
[M]+ 165.07843142 136.1
[M]- 165.07952858 136.1
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