CID 91748325

4-(2-furanylmethylene)-3,4-dihydro-2h-pyrrole

Structural Information

Molecular Formula
C9H9NO
SMILES
C\1CN=C/C1=C\C2=CC=CO2
InChI
InChI=1S/C9H9NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-2,5-7H,3-4H2/b8-6-
InChIKey
UEGNEKZXKDRCHZ-VURMDHGXSA-N
Compound name
(4Z)-4-(furan-2-ylmethylidene)-2,3-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

147.06842 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 128.8
[M+Na]+ 170.057638 136.8
[M-H]- 146.061144 134.8
[M+NH4]+ 165.102243 150.7
[M+K]+ 186.031578 135.9
[M+H-H2O]+ 130.065680 122.6
[M+HCOO]- 192.066621 153.2
[M+CH3COO]- 206.082271 143.4
[M+Na-2H]- 168.043086 134.2
[M]+ 147.06787142 128.0
[M]- 147.06896858 128.0
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

patents stripe