CID 12794991

1-(3-hydroxypropyl)pyrrole

Structural Information

Molecular Formula
C7H11NO
SMILES
C1=CN(C=C1)CCCO
InChI
InChI=1S/C7H11NO/c9-7-3-6-8-4-1-2-5-8/h1-2,4-5,9H,3,6-7H2
InChIKey
ORCXGLCMROHGOM-UHFFFAOYSA-N
Compound name
3-pyrrol-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

278
Patents

125.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 125.1
[M+Na]+ 148.07328 132.9
[M-H]- 124.07678 126.0
[M+NH4]+ 143.11788 147.1
[M+K]+ 164.04722 131.3
[M+H-H2O]+ 108.08132 119.3
[M+HCOO]- 170.08226 148.5
[M+CH3COO]- 184.09791 167.4
[M+Na-2H]- 146.05873 131.6
[M]+ 125.08351 125.0
[M]- 125.08461 125.0
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