CID 11521083

2-methyl-1-(1h-pyrrol-2-yl)propan-1-one

Structural Information

Molecular Formula
C8H11NO
SMILES
CC(C)C(=O)C1=CC=CN1
InChI
InChI=1S/C8H11NO/c1-6(2)8(10)7-4-3-5-9-7/h3-6,9H,1-2H3
InChIKey
VXSFYXBPGVRRPT-UHFFFAOYSA-N
Compound name
2-methyl-1-(1H-pyrrol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

137.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 129.6
[M+Na]+ 160.073278 136.7
[M-H]- 136.076784 130.6
[M+NH4]+ 155.117883 151.0
[M+K]+ 176.047218 135.2
[M+H-H2O]+ 120.081320 123.8
[M+HCOO]- 182.082261 150.9
[M+CH3COO]- 196.097911 171.2
[M+Na-2H]- 158.058726 133.0
[M]+ 137.08351142 127.9
[M]- 137.08460858 127.9
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