CID 81488

N-(3-chloro-4-methylphenyl)butanamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CCCC(=O)NC1=CC(=C(C=C1)C)Cl
InChI
InChI=1S/C11H14ClNO/c1-3-4-11(14)13-9-6-5-8(2)10(12)7-9/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKey
CMVIYVQUKDZLRB-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

211.07639 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 145.5
[M+Na]+ 234.065608 154.0
[M-H]- 210.069114 149.3
[M+NH4]+ 229.110213 165.4
[M+K]+ 250.039548 149.9
[M+H-H2O]+ 194.073650 140.6
[M+HCOO]- 256.074591 165.4
[M+CH3COO]- 270.090241 189.6
[M+Na-2H]- 232.051056 149.8
[M]+ 211.07584142 148.2
[M]- 211.07693858 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe