CID 13741366

1-[2-(oxiran-2-yl)ethyl]-1h-pyrrole

Structural Information

Molecular Formula
C8H11NO
SMILES
C1C(O1)CCN2C=CC=C2
InChI
InChI=1S/C8H11NO/c1-2-5-9(4-1)6-3-8-7-10-8/h1-2,4-5,8H,3,6-7H2
InChIKey
OUGXXVWBSDOMMD-UHFFFAOYSA-N
Compound name
1-[2-(oxiran-2-yl)ethyl]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

137.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 130.3
[M+Na]+ 160.07328 143.8
[M+NH4]+ 155.11788 139.9
[M+K]+ 176.04722 140.7
[M-H]- 136.07678 140.9
[M+Na-2H]- 158.05873 139.6
[M]+ 137.08351 136.3
[M]- 137.08461 136.3
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

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