CID 95963

83662-06-0

Structural Information

Molecular Formula
C8H13NO
SMILES
CC1=CC=C(N1CCO)C
InChI
InChI=1S/C8H13NO/c1-7-3-4-8(2)9(7)5-6-10/h3-4,10H,5-6H2,1-2H3
InChIKey
AREYOJNLKFSXPK-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylpyrrol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

81
Patents

139.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 128.7
[M+Na]+ 162.088938 137.9
[M-H]- 138.092444 130.2
[M+NH4]+ 157.133543 150.8
[M+K]+ 178.062878 136.1
[M+H-H2O]+ 122.096980 123.3
[M+HCOO]- 184.097921 151.8
[M+CH3COO]- 198.113571 172.7
[M+Na-2H]- 160.074386 133.3
[M]+ 139.09917142 129.8
[M]- 139.10026858 129.8
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