CID 16795444

1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C7H14N2O2
SMILES
C1CC(=O)N(C1)CC(CN)O
InChI
InChI=1S/C7H14N2O2/c8-4-6(10)5-9-3-1-2-7(9)11/h6,10H,1-5,8H2
InChIKey
QQYNONWEZCBLKZ-UHFFFAOYSA-N
Compound name
1-(3-amino-2-hydroxypropyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

158.10553 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 135.1
[M+Na]+ 181.09475 140.7
[M-H]- 157.09825 135.1
[M+NH4]+ 176.13935 155.0
[M+K]+ 197.06869 139.5
[M+H-H2O]+ 141.10279 128.9
[M+HCOO]- 203.10373 155.3
[M+CH3COO]- 217.11938 175.5
[M+Na-2H]- 179.08020 136.9
[M]+ 158.10498 130.8
[M]- 158.10608 130.8
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