CID 67958082

3-(oxetan-3-yl)aniline

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C(CO1)C2=CC(=CC=C2)N
InChI
InChI=1S/C9H11NO/c10-9-3-1-2-7(4-9)8-5-11-6-8/h1-4,8H,5-6,10H2
InChIKey
XNLQADAFMDCAAK-UHFFFAOYSA-N
Compound name
3-(oxetan-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

149.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 125.7
[M+Na]+ 172.073278 131.7
[M-H]- 148.076784 132.6
[M+NH4]+ 167.117883 138.7
[M+K]+ 188.047218 134.1
[M+H-H2O]+ 132.081320 114.3
[M+HCOO]- 194.082261 148.3
[M+CH3COO]- 208.097911 180.1
[M+Na-2H]- 170.058726 133.3
[M]+ 149.08351142 132.2
[M]- 149.08460858 132.2
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