CID 4715419

2-(5-methylfuran-2-yl)pyrrolidine

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=CC=C(O1)C2CCCN2
InChI
InChI=1S/C9H13NO/c1-7-4-5-9(11-7)8-3-2-6-10-8/h4-5,8,10H,2-3,6H2,1H3
InChIKey
LGGXPKQFJZIICN-UHFFFAOYSA-N
Compound name
2-(5-methylfuran-2-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

28
Patents

151.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.8
[M+Na]+ 174.088938 138.9
[M-H]- 150.092444 136.4
[M+NH4]+ 169.133543 153.1
[M+K]+ 190.062878 137.8
[M+H-H2O]+ 134.096980 126.0
[M+HCOO]- 196.097921 153.0
[M+CH3COO]- 210.113571 145.5
[M+Na-2H]- 172.074386 135.2
[M]+ 151.09917142 128.9
[M]- 151.10026858 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe