CID 22377079

1257852-74-6

Structural Information

Molecular Formula
C7H10N2O2
SMILES
C1=CC(=O)N(C1=O)CCCN
InChI
InChI=1S/C7H10N2O2/c8-4-1-5-9-6(10)2-3-7(9)11/h2-3H,1,4-5,8H2
InChIKey
FTJIGEWXCQPKBV-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

289
Patents

154.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 130.3
[M+Na]+ 177.063448 138.9
[M-H]- 153.066954 132.4
[M+NH4]+ 172.108053 151.5
[M+K]+ 193.037388 137.2
[M+H-H2O]+ 137.071490 124.2
[M+HCOO]- 199.072431 154.7
[M+CH3COO]- 213.088081 177.1
[M+Na-2H]- 175.048896 134.2
[M]+ 154.07368142 129.7
[M]- 154.07477858 129.7
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