CID 21149653

Pyrrolidine-1-butyryl chloride hydrochloride

Structural Information

Molecular Formula
C8H14ClNO
SMILES
C1CCN(C1)CCCC(=O)Cl
InChI
InChI=1S/C8H14ClNO/c9-8(11)4-3-7-10-5-1-2-6-10/h1-7H2
InChIKey
GCNQYLICKDWCRE-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

175.07639 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.083666 139.5
[M+Na]+ 198.065608 145.9
[M-H]- 174.069114 140.7
[M+NH4]+ 193.110213 160.6
[M+K]+ 214.039548 143.2
[M+H-H2O]+ 158.073650 133.7
[M+HCOO]- 220.074591 155.6
[M+CH3COO]- 234.090241 177.7
[M+Na-2H]- 196.051056 141.9
[M]+ 175.07584142 139.1
[M]- 175.07693858 139.1
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