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]+ 196.133206 144.0
[M+Na]+ 218.115148 152.8
[M-H]- 194.118654 145.5
[M+NH4]+ 213.159753 164.0
[M+K]+ 234.089088 150.5
[M+H-H2O]+ 178.123190 138.4
[M+HCOO]- 240.124131 165.4
[M+CH3COO]- 254.139781 184.9
[M+Na-2H]- 216.100596 145.1
[M]+ 195.12538142 146.6
[M]- 195.12647858 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.