CID 61549020

3-amino-1-cyclopropylpyrrolidin-2-one

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CC1N2CCC(C2=O)N
InChI
InChI=1S/C7H12N2O/c8-6-3-4-9(7(6)10)5-1-2-5/h5-6H,1-4,8H2
InChIKey
XZXGBMLUQYFTKL-UHFFFAOYSA-N
Compound name
3-amino-1-cyclopropylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

140.09496 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 129.6
[M+Na]+ 163.08418 139.0
[M-H]- 139.08768 135.5
[M+NH4]+ 158.12878 146.4
[M+K]+ 179.05812 135.8
[M+H-H2O]+ 123.09222 123.2
[M+HCOO]- 185.09316 152.3
[M+CH3COO]- 199.10881 178.4
[M+Na-2H]- 161.06963 132.9
[M]+ 140.09441 128.2
[M]- 140.09551 128.2
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