CID 89559064

2-methyl-4-(oxetan-3-yloxy)aniline

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC1=C(C=CC(=C1)OC2COC2)N
InChI
InChI=1S/C10H13NO2/c1-7-4-8(2-3-10(7)11)13-9-5-12-6-9/h2-4,9H,5-6,11H2,1H3
InChIKey
NYVOXSFZXUXFFQ-UHFFFAOYSA-N
Compound name
2-methyl-4-(oxetan-3-yloxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

179.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 133.7
[M+Na]+ 202.083858 139.9
[M-H]- 178.087364 140.7
[M+NH4]+ 197.128463 145.7
[M+K]+ 218.057798 142.6
[M+H-H2O]+ 162.091900 122.0
[M+HCOO]- 224.092841 156.1
[M+CH3COO]- 238.108491 186.2
[M+Na-2H]- 200.069306 140.0
[M]+ 179.09409142 142.2
[M]- 179.09518858 142.2
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