CID 15137

1478-87-1

Structural Information

Molecular Formula
C11H15FN2O2
SMILES
CCOC(=O)NNC(C)C1=CC=C(C=C1)F
InChI
InChI=1S/C11H15FN2O2/c1-3-16-11(15)14-13-8(2)9-4-6-10(12)7-5-9/h4-8,13H,3H2,1-2H3,(H,14,15)
InChIKey
DTQYCFWSXJGCRW-UHFFFAOYSA-N
Compound name
ethyl N-[1-(4-fluorophenyl)ethylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11176 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.119036 150.0
[M+Na]+ 249.100978 155.5
[M-H]- 225.104484 152.1
[M+NH4]+ 244.145583 167.5
[M+K]+ 265.074918 154.1
[M+H-H2O]+ 209.109020 142.2
[M+HCOO]- 271.109961 173.5
[M+CH3COO]- 285.125611 194.6
[M+Na-2H]- 247.086426 153.8
[M]+ 226.11121142 149.0
[M]- 226.11230858 149.0
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.