CID 56604181

1439900-28-3

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1C(CO1)OC2=CC=C(C=C2)CN
InChI
InChI=1S/C10H13NO2/c11-5-8-1-3-9(4-2-8)13-10-6-12-7-10/h1-4,10H,5-7,11H2
InChIKey
DJBYTGDFBZCFDU-UHFFFAOYSA-N
Compound name
[4-(oxetan-3-yloxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 133.0
[M+Na]+ 202.08386 138.3
[M-H]- 178.08736 139.6
[M+NH4]+ 197.12846 144.7
[M+K]+ 218.05780 141.1
[M+H-H2O]+ 162.09190 121.1
[M+HCOO]- 224.09284 155.4
[M+CH3COO]- 238.10849 185.1
[M+Na-2H]- 200.06931 140.0
[M]+ 179.09409 141.2
[M]- 179.09519 141.2
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

No patent data available for this compound.