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]+ 259.107706 156.7
[M+Na]+ 281.089648 166.1
[M-H]- 257.093154 166.0
[M+NH4]+ 276.134253 172.6
[M+K]+ 297.063588 163.6
[M+H-H2O]+ 241.097690 151.0
[M+HCOO]- 303.098631 180.9
[M+CH3COO]- 317.114281 201.2
[M+Na-2H]- 279.075096 164.2
[M]+ 258.09988142 161.6
[M]- 258.10097858 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.