CID 47047

Niosh/br2149500

Structural Information

Molecular Formula
C14H25N3O2
SMILES
CNC(=O)OC1=C(C=CC(=C1)[N+](C)(C)C)[N+](C)(C)C
InChI
InChI=1S/C14H24N3O2/c1-15-14(18)19-13-10-11(16(2,3)4)8-9-12(13)17(5,6)7/h8-10H,1-7H3/q+1/p+1
InChIKey
CVFGNRDCYQMAKJ-UHFFFAOYSA-O
Compound name
trimethyl-[2-(methylcarbamoyloxy)-4-(trimethylazaniumyl)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.19467 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.20195 159.6
[M+Na]+ 290.18389 173.2
[M+NH4]+ 285.22849 169.0
[M+K]+ 306.15783 169.7
[M-H]- 266.18739 165.8
[M+Na-2H]- 288.16934 167.8
[M]+ 267.19412 164.1
[M]- 267.19522 164.1
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.