CID 17995834

1-amino-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C5H6N2O
SMILES
C1=CN(C(=C1)C=O)N
InChI
InChI=1S/C5H6N2O/c6-7-3-1-2-5(7)4-8/h1-4H,6H2
InChIKey
UPQQOGZJLNUIQV-UHFFFAOYSA-N
Compound name
1-aminopyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

110.04801 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 117.8
[M+Na]+ 133.03723 127.2
[M-H]- 109.04073 120.2
[M+NH4]+ 128.08183 140.7
[M+K]+ 149.01117 125.9
[M+H-H2O]+ 93.045270 111.9
[M+HCOO]- 155.04621 143.9
[M+CH3COO]- 169.06186 168.2
[M+Na-2H]- 131.02268 124.4
[M]+ 110.04746 116.8
[M]- 110.04856 116.8
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