CID 80473074

2839157-79-6

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC1=CC(=C(N1)C)C(=O)CN
InChI
InChI=1S/C8H12N2O/c1-5-3-7(6(2)10-5)8(11)4-9/h3,10H,4,9H2,1-2H3
InChIKey
ZSDMFSQHWUNWKD-UHFFFAOYSA-N
Compound name
2-amino-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.09496 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 132.8
[M+Na]+ 175.084178 141.1
[M-H]- 151.087684 133.9
[M+NH4]+ 170.128783 153.6
[M+K]+ 191.058118 138.7
[M+H-H2O]+ 135.092220 127.0
[M+HCOO]- 197.093161 155.4
[M+CH3COO]- 211.108811 176.8
[M+Na-2H]- 173.069626 135.4
[M]+ 152.09441142 130.7
[M]- 152.09550858 130.7
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.