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

13
Patents

147.06842 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 128.8
[M+Na]+ 170.05764 136.8
[M-H]- 146.06114 134.8
[M+NH4]+ 165.10224 150.7
[M+K]+ 186.03158 135.9
[M+H-H2O]+ 130.06568 122.6
[M+HCOO]- 192.06662 153.2
[M+CH3COO]- 206.08227 143.4
[M+Na-2H]- 168.04309 134.2
[M]+ 147.06787 128.0
[M]- 147.06897 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