CID 46010

Tl-1461

Structural Information

Molecular Formula
C16H27N2O2
SMILES
CCCCC1=C(C=CC(=C1)OC(=O)N(C)C)[N+](C)(C)C
InChI
InChI=1S/C16H27N2O2/c1-7-8-9-13-12-14(20-16(19)17(2)3)10-11-15(13)18(4,5)6/h10-12H,7-9H2,1-6H3/q+1
InChIKey
HGRSFIWSEQWZKX-UHFFFAOYSA-N
Compound name
[2-butyl-4-(dimethylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.20724 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.214516 166.3
[M+Na]+ 302.196458 171.9
[M-H]- 278.199964 172.8
[M+NH4]+ 297.241063 183.7
[M+K]+ 318.170398 166.2
[M+H-H2O]+ 262.204500 162.1
[M+HCOO]- 324.205441 190.2
[M+CH3COO]- 338.221091 206.6
[M+Na-2H]- 300.181906 171.9
[M]+ 279.20669142 170.3
[M]- 279.20778858 170.3
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.