CID 42958

59133-37-8

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

9
Patents

138.07932 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 128.2
[M+Na]+ 161.068538 137.0
[M-H]- 137.072044 129.4
[M+NH4]+ 156.113143 149.5
[M+K]+ 177.042478 134.7
[M+H-H2O]+ 121.076580 122.6
[M+HCOO]- 183.077521 151.1
[M+CH3COO]- 197.093171 173.8
[M+Na-2H]- 159.053986 131.3
[M]+ 138.07877142 125.7
[M]- 138.07986858 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