CID 204835

1-pyrrolidineaceto-2',6'-xylidide, 4'-bromo-

Structural Information

Molecular Formula
C14H19BrN2O
SMILES
CC1=CC(=CC(=C1NC(=O)CN2CCCC2)C)Br
InChI
InChI=1S/C14H19BrN2O/c1-10-7-12(15)8-11(2)14(10)16-13(18)9-17-5-3-4-6-17/h7-8H,3-6,9H2,1-2H3,(H,16,18)
InChIKey
FTFZYOYKKMXBIZ-UHFFFAOYSA-N
Compound name
N-(4-bromo-2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.06808 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07536 167.5
[M+Na]+ 333.05730 176.9
[M-H]- 309.06080 175.1
[M+NH4]+ 328.10190 186.3
[M+K]+ 349.03124 165.1
[M+H-H2O]+ 293.06534 165.8
[M+HCOO]- 355.06628 186.4
[M+CH3COO]- 369.08193 203.9
[M+Na-2H]- 331.04275 169.0
[M]+ 310.06753 184.1
[M]- 310.06863 184.1
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

No patent data available for this compound.