CID 104498037

3-ethylpyrrolidine-1-carbonyl chloride

Structural Information

Molecular Formula
C7H12ClNO
SMILES
CCC1CCN(C1)C(=O)Cl
InChI
InChI=1S/C7H12ClNO/c1-2-6-3-4-9(5-6)7(8)10/h6H,2-5H2,1H3
InChIKey
OCLSSRUKNJWSPN-UHFFFAOYSA-N
Compound name
3-ethylpyrrolidine-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.06075 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06803 134.4
[M+Na]+ 184.04997 142.2
[M-H]- 160.05347 136.2
[M+NH4]+ 179.09457 156.5
[M+K]+ 200.02391 139.7
[M+H-H2O]+ 144.05801 129.2
[M+HCOO]- 206.05895 150.8
[M+CH3COO]- 220.07460 175.1
[M+Na-2H]- 182.03542 136.7
[M]+ 161.06020 133.9
[M]- 161.06130 133.9
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

No patent data available for this compound.