CID 47062

Methiodide of urethane of 3-dimethylaminophenol

Structural Information

Molecular Formula
C10H15N2O2
SMILES
C[N+](C)(C)C1=CC(=CC=C1)OC(=O)N
InChI
InChI=1S/C10H14N2O2/c1-12(2,3)8-5-4-6-9(7-8)14-10(11)13/h4-7H,1-3H3,(H-,11,13)/p+1
InChIKey
ZGVCAZZSNLVOEB-UHFFFAOYSA-O
Compound name
(3-carbamoyloxyphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.11336 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.120636 139.3
[M+Na]+ 218.102578 146.2
[M-H]- 194.106084 144.5
[M+NH4]+ 213.147183 158.7
[M+K]+ 234.076518 140.2
[M+H-H2O]+ 178.110620 136.2
[M+HCOO]- 240.111561 164.1
[M+CH3COO]- 254.127211 183.7
[M+Na-2H]- 216.088026 148.3
[M]+ 195.11281142 138.5
[M]- 195.11390858 138.5
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.