CID 56604280

1349702-37-9

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC(C)C(=O)N1CC[C@H](C1)N
InChI
InChI=1S/C8H16N2O/c1-6(2)8(11)10-4-3-7(9)5-10/h6-7H,3-5,9H2,1-2H3/t7-/m1/s1
InChIKey
JZFPVNLLUFKXKC-SSDOTTSWSA-N
Compound name
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

156.12627 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 137.1
[M+Na]+ 179.11549 142.7
[M-H]- 155.11899 138.5
[M+NH4]+ 174.16009 158.0
[M+K]+ 195.08943 142.1
[M+H-H2O]+ 139.12353 130.9
[M+HCOO]- 201.12447 157.3
[M+CH3COO]- 215.14012 179.2
[M+Na-2H]- 177.10094 137.6
[M]+ 156.12572 132.9
[M]- 156.12682 132.9
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