CID 63264302

1-{3-[(methylamino)methyl]pyrrolidin-1-yl}ethan-1-one hydrochloride

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC(=O)N1CCC(C1)CNC
InChI
InChI=1S/C8H16N2O/c1-7(11)10-4-3-8(6-10)5-9-2/h8-9H,3-6H2,1-2H3
InChIKey
CPAKMSYBZQCPOV-UHFFFAOYSA-N
Compound name
1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

156.12627 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 136.2
[M+Na]+ 179.11549 142.0
[M-H]- 155.11899 138.0
[M+NH4]+ 174.16009 157.4
[M+K]+ 195.08943 141.3
[M+H-H2O]+ 139.12353 129.8
[M+HCOO]- 201.12447 158.0
[M+CH3COO]- 215.14012 179.0
[M+Na-2H]- 177.10094 139.0
[M]+ 156.12572 133.7
[M]- 156.12682 133.7
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