CID 160072

Ferrocene carbamate

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

CNC(=O)OC1=CC=C(C=C1)NC=C2C=CC=C2

InChI

InChI=1S/C14H14N2O2/c1-15-14(17)18-13-8-6-12(7-9-13)16-10-11-4-2-3-5-11/h2-10,16H,1H3,(H,15,17)

InChIKey

NXIVZMUQQCZGQT-UHFFFAOYSA-N

Compound name

[4-(cyclopenta-2,4-dien-1-ylidenemethylamino)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 2
Patents: 242.10553 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.112806	154.3
[M+Na]+	265.094748	160.3
[M-H]-	241.098254	161.1
[M+NH4]+	260.139353	172.7
[M+K]+	281.068688	156.9
[M+H-H2O]+	225.102790	146.7
[M+HCOO]-	287.103731	181.4
[M+CH3COO]-	301.119381	194.2
[M+Na-2H]-	263.080196	158.8
[M]+	242.10498142	153.6
[M]-	242.10607858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.