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]+ 112.07569 120.0
[M+Na]+ 134.05763 129.1
[M-H]- 110.06113 121.4
[M+NH4]+ 129.10223 142.9
[M+K]+ 150.03157 127.8
[M+H-H2O]+ 94.065670 114.7
[M+HCOO]- 156.06661 143.7
[M+CH3COO]- 170.08226 165.5
[M+Na-2H]- 132.04308 126.3
[M]+ 111.06786 119.9
[M]- 111.06896 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