CID 29192

Carbamic acid, methyl-, (5-trimethylammonio)carvacryl ester, iodide

Structural Information

Molecular Formula
C15H25N2O2
SMILES
CC1=C(C(=C(C=C1)C(C)C)[N+](C)(C)C)OC(=O)NC
InChI
InChI=1S/C15H24N2O2/c1-10(2)12-9-8-11(3)14(19-15(18)16-4)13(12)17(5,6)7/h8-10H,1-7H3/p+1
InChIKey
UNUYQUCDQCDVEC-UHFFFAOYSA-O
Compound name
trimethyl-[3-methyl-2-(methylcarbamoyloxy)-6-propan-2-ylphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1916 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.19888 162.3
[M+Na]+ 288.18082 174.6
[M+NH4]+ 283.22542 170.4
[M+K]+ 304.15476 170.3
[M-H]- 264.18432 166.3
[M+Na-2H]- 286.16627 168.3
[M]+ 265.19105 165.5
[M]- 265.19215 165.5
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.