CID 91748330

3-(5-methylfurfurylidene)-1-pyrroline

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1=CC=C(O1)/C=C\2/CCN=C2
InChI
InChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-3,6-7H,4-5H2,1H3/b9-6-
InChIKey
BCWSVRKZMCXABS-TWGQIWQCSA-N
Compound name
(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 133.2
[M+Na]+ 184.07328 141.7
[M-H]- 160.07678 139.4
[M+NH4]+ 179.11788 154.8
[M+K]+ 200.04722 140.5
[M+H-H2O]+ 144.08132 127.1
[M+HCOO]- 206.08226 157.2
[M+CH3COO]- 220.09791 174.9
[M+Na-2H]- 182.05873 137.4
[M]+ 161.08351 133.2
[M]- 161.08461 133.2
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.