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]+ 180.10192 133.7
[M+Na]+ 202.08386 139.9
[M-H]- 178.08736 140.7
[M+NH4]+ 197.12846 145.7
[M+K]+ 218.05780 142.6
[M+H-H2O]+ 162.09190 122.0
[M+HCOO]- 224.09284 156.1
[M+CH3COO]- 238.10849 186.2
[M+Na-2H]- 200.06931 140.0
[M]+ 179.09409 142.2
[M]- 179.09519 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