CID 2378281

5049-47-8

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1=CC=C(N1CC2=CC=CO2)C
InChI
InChI=1S/C11H13NO/c1-9-5-6-10(2)12(9)8-11-4-3-7-13-11/h3-7H,8H2,1-2H3
InChIKey
GHUVRTIRHVRLRU-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

175.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 134.9
[M+Na]+ 198.08894 145.7
[M-H]- 174.09244 142.1
[M+NH4]+ 193.13354 156.6
[M+K]+ 214.06288 144.3
[M+H-H2O]+ 158.09698 129.0
[M+HCOO]- 220.09792 161.3
[M+CH3COO]- 234.11357 180.0
[M+Na-2H]- 196.07439 139.9
[M]+ 175.09917 139.4
[M]- 175.10027 139.4
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