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]+ 153.10224 132.8
[M+Na]+ 175.08418 141.1
[M-H]- 151.08768 133.9
[M+NH4]+ 170.12878 153.6
[M+K]+ 191.05812 138.7
[M+H-H2O]+ 135.09222 127.0
[M+HCOO]- 197.09316 155.4
[M+CH3COO]- 211.10881 176.8
[M+Na-2H]- 173.06963 135.4
[M]+ 152.09441 130.7
[M]- 152.09551 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.