CID 42958

1-(4-amino-2-methyl-1h-pyrrol-3-yl)ethanone hydrochloride

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC1=C(C(=CN1)N)C(=O)C
InChI
InChI=1S/C7H10N2O/c1-4-7(5(2)10)6(8)3-9-4/h3,9H,8H2,1-2H3
InChIKey
AHUHOHAIDVLMRT-UHFFFAOYSA-N
Compound name
1-(4-amino-2-methyl-1H-pyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

138.07932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 128.2
[M+Na]+ 161.06854 137.0
[M-H]- 137.07204 129.4
[M+NH4]+ 156.11314 149.5
[M+K]+ 177.04248 134.7
[M+H-H2O]+ 121.07658 122.6
[M+HCOO]- 183.07752 151.1
[M+CH3COO]- 197.09317 173.8
[M+Na-2H]- 159.05399 131.3
[M]+ 138.07877 125.7
[M]- 138.07987 125.7
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

patents stripe