CID 11768572

61380-25-4

Structural Information

Molecular Formula
C7H11NO
SMILES
CN1C=CC=C1CCO
InChI
InChI=1S/C7H11NO/c1-8-5-2-3-7(8)4-6-9/h2-3,5,9H,4,6H2,1H3
InChIKey
OWUIUYMLDSTENT-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 124.6
[M+Na]+ 148.07328 133.4
[M-H]- 124.07678 125.9
[M+NH4]+ 143.11788 147.0
[M+K]+ 164.04722 131.8
[M+H-H2O]+ 108.08132 119.1
[M+HCOO]- 170.08226 148.0
[M+CH3COO]- 184.09791 168.5
[M+Na-2H]- 146.05873 130.4
[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