CID 19264

Hc 602s

Structural Information

Molecular Formula
C16H25ClNO2
SMILES
CC[N+](C)(CC)CC1(COC1)COC2=CC=CC=C2Cl
InChI
InChI=1S/C16H25ClNO2/c1-4-18(3,5-2)10-16(11-19-12-16)13-20-15-9-7-6-8-14(15)17/h6-9H,4-5,10-13H2,1-3H3/q+1
InChIKey
RPRXCTKLFMQYOM-UHFFFAOYSA-N
Compound name
[3-[(2-chlorophenoxy)methyl]oxetan-3-yl]methyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.15738 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16466 162.9
[M+Na]+ 321.14660 168.0
[M-H]- 297.15010 170.8
[M+NH4]+ 316.19120 173.8
[M+K]+ 337.12054 163.6
[M+H-H2O]+ 281.15464 154.9
[M+HCOO]- 343.15558 179.0
[M+CH3COO]- 357.17123 203.0
[M+Na-2H]- 319.13205 172.0
[M]+ 298.15683 175.9
[M]- 298.15793 175.9
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.