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

4
Patents

242.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 154.3
[M+Na]+ 265.09475 160.3
[M-H]- 241.09825 161.1
[M+NH4]+ 260.13935 172.7
[M+K]+ 281.06869 156.9
[M+H-H2O]+ 225.10279 146.7
[M+HCOO]- 287.10373 181.4
[M+CH3COO]- 301.11938 194.2
[M+Na-2H]- 263.08020 158.8
[M]+ 242.10498 153.6
[M]- 242.10608 153.6
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.