CID 13227209

91459-09-5

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC1=C(C=C(N1C)CCCO)C(=O)C
InChI
InChI=1S/C11H17NO2/c1-8-11(9(2)14)7-10(12(8)3)5-4-6-13/h7,13H,4-6H2,1-3H3
InChIKey
JZKHDPZJNTUHNF-UHFFFAOYSA-N
Compound name
1-[5-(3-hydroxypropyl)-1,2-dimethylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 144.0
[M+Na]+ 218.11515 152.8
[M-H]- 194.11865 145.5
[M+NH4]+ 213.15975 164.0
[M+K]+ 234.08909 150.5
[M+H-H2O]+ 178.12319 138.4
[M+HCOO]- 240.12413 165.4
[M+CH3COO]- 254.13978 184.9
[M+Na-2H]- 216.10060 145.1
[M]+ 195.12538 146.6
[M]- 195.12648 146.6
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

No patent data available for this compound.