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

271
Patents

154.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 130.3
[M+Na]+ 177.06345 138.9
[M-H]- 153.06695 132.4
[M+NH4]+ 172.10805 151.5
[M+K]+ 193.03739 137.2
[M+H-H2O]+ 137.07149 124.2
[M+HCOO]- 199.07243 154.7
[M+CH3COO]- 213.08808 177.1
[M+Na-2H]- 175.04890 134.2
[M]+ 154.07368 129.7
[M]- 154.07478 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