CID 46623

Tl-1476

Structural Information

Molecular Formula
C16H27N2O2
SMILES
CCCCCC1=C(C=CC(=C1)OC(=O)NC)[N+](C)(C)C
InChI
InChI=1S/C16H26N2O2/c1-6-7-8-9-13-12-14(20-16(19)17-2)10-11-15(13)18(3,4)5/h10-12H,6-9H2,1-5H3/p+1
InChIKey
ISYNJFRUNMIEBX-UHFFFAOYSA-O
Compound name
trimethyl-[4-(methylcarbamoyloxy)-2-pentylphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.20724 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.21452 167.0
[M+Na]+ 302.19646 172.3
[M-H]- 278.19996 172.0
[M+NH4]+ 297.24106 183.7
[M+K]+ 318.17040 165.2
[M+H-H2O]+ 262.20450 162.9
[M+HCOO]- 324.20544 190.4
[M+CH3COO]- 338.22109 203.1
[M+Na-2H]- 300.18191 173.2
[M]+ 279.20669 169.7
[M]- 279.20779 169.7
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.