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]+ 138.091336 128.3
[M+Na]+ 160.073278 138.1
[M-H]- 136.076784 135.1
[M+NH4]+ 155.117883 144.3
[M+K]+ 176.047218 137.1
[M+H-H2O]+ 120.081320 121.3
[M+HCOO]- 182.082261 152.1
[M+CH3COO]- 196.097911 175.3
[M+Na-2H]- 158.058726 135.8
[M]+ 137.08351142 132.0
[M]- 137.08460858 132.0
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