CID 19031087

Phenyl(pyrrolidin-3-yl)methanone hydrochloride

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CNCC1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKey
YLBMMUDQGTXXKP-UHFFFAOYSA-N
Compound name
phenyl(pyrrolidin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

175.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 138.8
[M+Na]+ 198.088938 144.1
[M-H]- 174.092444 142.1
[M+NH4]+ 193.133543 158.0
[M+K]+ 214.062878 141.0
[M+H-H2O]+ 158.096980 131.7
[M+HCOO]- 220.097921 158.7
[M+CH3COO]- 234.113571 175.6
[M+Na-2H]- 196.074386 142.2
[M]+ 175.09917142 133.4
[M]- 175.10026858 133.4
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