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

24
Patents

158.10553 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.112806 135.1
[M+Na]+ 181.094748 140.7
[M-H]- 157.098254 135.1
[M+NH4]+ 176.139353 155.0
[M+K]+ 197.068688 139.5
[M+H-H2O]+ 141.102790 128.9
[M+HCOO]- 203.103731 155.3
[M+CH3COO]- 217.119381 175.5
[M+Na-2H]- 179.080196 136.9
[M]+ 158.10498142 130.8
[M]- 158.10607858 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