CID 45974

Tl-1417

Structural Information

Molecular Formula
C17H27N2O2
SMILES
CN(C)C(=O)OC1=CC(=C(C=C1)[N+](C)(C)C)C2CCCC2
InChI
InChI=1S/C17H27N2O2/c1-18(2)17(20)21-14-10-11-16(19(3,4)5)15(12-14)13-8-6-7-9-13/h10-13H,6-9H2,1-5H3/q+1
InChIKey
NNHLUGPDSRYXRP-UHFFFAOYSA-N
Compound name
[2-cyclopentyl-4-(dimethylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.20724 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.21452 169.4
[M+Na]+ 314.19646 173.3
[M-H]- 290.19996 178.5
[M+NH4]+ 309.24106 187.4
[M+K]+ 330.17040 167.3
[M+H-H2O]+ 274.20450 164.8
[M+HCOO]- 336.20544 192.2
[M+CH3COO]- 350.22109 205.8
[M+Na-2H]- 312.18191 173.0
[M]+ 291.20669 168.9
[M]- 291.20779 168.9
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.