CID 19640

H.c. 6023

Structural Information

Molecular Formula
C14H21ClNO2
SMILES
C[N+](C)(C)CC1(COC1)COC2=CC=CC=C2Cl
InChI
InChI=1S/C14H21ClNO2/c1-16(2,3)8-14(9-17-10-14)11-18-13-7-5-4-6-12(13)15/h4-7H,8-11H2,1-3H3/q+1
InChIKey
GGBASTWAFJRLJQ-UHFFFAOYSA-N
Compound name
[3-[(2-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12607 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13335 153.2
[M+Na]+ 293.11529 159.2
[M-H]- 269.11879 161.5
[M+NH4]+ 288.15989 165.3
[M+K]+ 309.08923 155.2
[M+H-H2O]+ 253.12333 145.7
[M+HCOO]- 315.12427 170.0
[M+CH3COO]- 329.13992 197.2
[M+Na-2H]- 291.10074 163.4
[M]+ 270.12552 165.6
[M]- 270.12662 165.6
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.