CID 59268333

1-[3-(aminomethyl)pyrrolidin-1-yl]ethan-1-one dihydrochloride

Structural Information

Molecular Formula
C7H14N2O
SMILES
CC(=O)N1CCC(C1)CN
InChI
InChI=1S/C7H14N2O/c1-6(10)9-3-2-7(4-8)5-9/h7H,2-5,8H2,1H3
InChIKey
BFAUUMCYJKZGPW-UHFFFAOYSA-N
Compound name
1-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

142.11061 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 132.1
[M+Na]+ 165.099828 138.3
[M-H]- 141.103334 133.5
[M+NH4]+ 160.144433 153.5
[M+K]+ 181.073768 137.5
[M+H-H2O]+ 125.107870 125.9
[M+HCOO]- 187.108811 153.6
[M+CH3COO]- 201.124461 175.3
[M+Na-2H]- 163.085276 134.3
[M]+ 142.11006142 128.1
[M]- 142.11115858 128.1
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