CID 3583515

N-benzyl-2-chloro-n-methylpropanamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC(C(=O)N(C)CC1=CC=CC=C1)Cl
InChI
InChI=1S/C11H14ClNO/c1-9(12)11(14)13(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey
RWFBLVRENQLMHX-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloro-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 146.1
[M+Na]+ 234.065608 152.6
[M-H]- 210.069114 150.8
[M+NH4]+ 229.110213 166.0
[M+K]+ 250.039548 150.3
[M+H-H2O]+ 194.073650 140.6
[M+HCOO]- 256.074591 165.5
[M+CH3COO]- 270.090241 191.7
[M+Na-2H]- 232.051056 149.8
[M]+ 211.07584142 148.8
[M]- 211.07693858 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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