CID 20790054

5-methyl-1h-pyrrol-2-ol

Structural Information

Molecular Formula
C5H7NO
SMILES
CC1=CC=C(N1)O
InChI
InChI=1S/C5H7NO/c1-4-2-3-5(7)6-4/h2-3,6-7H,1H3
InChIKey
KUUBYKHMELOXAV-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyrrol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

97.052765 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 116.3
[M+Na]+ 120.041983 125.4
[M-H]- 96.045489 116.4
[M+NH4]+ 115.086588 139.0
[M+K]+ 136.015923 123.4
[M+H-H2O]+ 80.050025 111.4
[M+HCOO]- 142.050966 138.8
[M+CH3COO]- 156.066616 159.8
[M+Na-2H]- 118.027431 122.6
[M]+ 97.05221642 113.9
[M]- 97.05331358 113.9
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