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

41
Patents

165.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 128.3
[M+Na]+ 188.06820 134.0
[M-H]- 164.07170 135.1
[M+NH4]+ 183.11280 140.5
[M+K]+ 204.04214 137.0
[M+H-H2O]+ 148.07624 116.6
[M+HCOO]- 210.07718 151.0
[M+CH3COO]- 224.09283 182.2
[M+Na-2H]- 186.05365 135.9
[M]+ 165.07843 136.1
[M]- 165.07953 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