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

40
Patents

125.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 124.6
[M+Na]+ 148.073278 133.4
[M-H]- 124.076784 125.9
[M+NH4]+ 143.117883 147.0
[M+K]+ 164.047218 131.8
[M+H-H2O]+ 108.081320 119.1
[M+HCOO]- 170.082261 148.0
[M+CH3COO]- 184.097911 168.5
[M+Na-2H]- 146.058726 130.4
[M]+ 125.08351142 125.0
[M]- 125.08460858 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