CID 149434

68384-83-8

Structural Information

Molecular Formula
C6H9NO
SMILES
CN1C=CC(=C1)CO
InChI
InChI=1S/C6H9NO/c1-7-3-2-6(4-7)5-8/h2-4,8H,5H2,1H3
InChIKey
GAWOWMPYDQEGOT-UHFFFAOYSA-N
Compound name
(1-methylpyrrol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

111.06841 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 120.0
[M+Na]+ 134.057628 129.1
[M-H]- 110.061134 121.4
[M+NH4]+ 129.102233 142.9
[M+K]+ 150.031568 127.8
[M+H-H2O]+ 94.065670 114.7
[M+HCOO]- 156.066611 143.7
[M+CH3COO]- 170.082261 165.5
[M+Na-2H]- 132.043076 126.3
[M]+ 111.06786142 119.9
[M]- 111.06895858 119.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe