CID 24846083

Brn 5970256

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C=CCNC(=O)O/N=C\1/C2=CC=CC=C2OC13CC3
InChI
InChI=1S/C14H14N2O3/c1-2-9-15-13(17)19-16-12-10-5-3-4-6-11(10)18-14(12)7-8-14/h2-6H,1,7-9H2,(H,15,17)/b16-12-
InChIKey
PBDBCOSMSNEQFW-VBKFSLOCSA-N
Compound name
[(Z)-spiro[1-benzofuran-2,1'-cyclopropane]-3-ylideneamino] N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 156.7
[M+Na]+ 281.08965 166.1
[M-H]- 257.09315 166.0
[M+NH4]+ 276.13425 172.6
[M+K]+ 297.06359 163.6
[M+H-H2O]+ 241.09769 151.0
[M+HCOO]- 303.09863 180.9
[M+CH3COO]- 317.11428 201.2
[M+Na-2H]- 279.07510 164.2
[M]+ 258.09988 161.6
[M]- 258.10098 161.6
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.