CID 71695

Aptocaine

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC1=CC=CC=C1NC(=O)C(C)N2CCCC2
InChI
InChI=1S/C14H20N2O/c1-11-7-3-4-8-13(11)15-14(17)12(2)16-9-5-6-10-16/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKey
WJOQWLQQCYYQBE-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-2-pyrrolidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

242
Patents

232.15756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 155.9
[M+Na]+ 255.14678 160.1
[M-H]- 231.15028 160.6
[M+NH4]+ 250.19138 173.5
[M+K]+ 271.12072 157.6
[M+H-H2O]+ 215.15482 148.0
[M+HCOO]- 277.15576 176.3
[M+CH3COO]- 291.17141 193.4
[M+Na-2H]- 253.13223 156.7
[M]+ 232.15701 152.5
[M]- 232.15811 152.5
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.