CID 19889

Ar-17

Structural Information

Molecular Formula
C11H17N2O2
SMILES
CNC(=O)OC1=CC=C(C=C1)[N+](C)(C)C
InChI
InChI=1S/C11H16N2O2/c1-12-11(14)15-10-7-5-9(6-8-10)13(2,3)4/h5-8H,1-4H3/p+1
InChIKey
CCRBFHVLXMPBBR-UHFFFAOYSA-O
Compound name
trimethyl-[4-(methylcarbamoyloxy)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.129 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13628 143.8
[M+Na]+ 232.11822 150.4
[M-H]- 208.12172 149.4
[M+NH4]+ 227.16282 163.0
[M+K]+ 248.09216 144.4
[M+H-H2O]+ 192.12626 140.5
[M+HCOO]- 254.12720 168.9
[M+CH3COO]- 268.14285 186.8
[M+Na-2H]- 230.10367 153.4
[M]+ 209.12845 144.3
[M]- 209.12955 144.3
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.