CID 3024979

97635-24-0

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1=CC=C(C=C1)C(=O)CCN2CCCC2
InChI
InChI=1S/C14H19NO/c1-12-4-6-13(7-5-12)14(16)8-11-15-9-2-3-10-15/h4-7H,2-3,8-11H2,1H3
InChIKey
KKCZPVROBRXZKM-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

217.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 151.7
[M+Na]+ 240.13589 157.1
[M-H]- 216.13939 156.3
[M+NH4]+ 235.18049 170.3
[M+K]+ 256.10983 154.1
[M+H-H2O]+ 200.14393 144.0
[M+HCOO]- 262.14487 172.1
[M+CH3COO]- 276.16052 188.4
[M+Na-2H]- 238.12134 153.2
[M]+ 217.14612 149.6
[M]- 217.14722 149.6
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.