CID 121481

H.c. 6008

Structural Information

Molecular Formula
C15H22ClNO2
SMILES
CCN(CC)CC1(COC1)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H22ClNO2/c1-3-17(4-2)9-15(10-18-11-15)12-19-14-7-5-13(16)6-8-14/h5-8H,3-4,9-12H2,1-2H3
InChIKey
NIARRRHBLJAERV-UHFFFAOYSA-N
Compound name
N-[[3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1339 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14118 161.4
[M+Na]+ 306.12312 166.6
[M-H]- 282.12662 169.1
[M+NH4]+ 301.16772 172.8
[M+K]+ 322.09706 167.8
[M+H-H2O]+ 266.13116 150.2
[M+HCOO]- 328.13210 178.9
[M+CH3COO]- 342.14775 206.8
[M+Na-2H]- 304.10857 166.6
[M]+ 283.13335 175.7
[M]- 283.13445 175.7
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.