CID 33751364

N-benzyl-2-chloro-n-cyclopropylacetamide

Structural Information

Molecular Formula
C12H14ClNO
SMILES
C1CC1N(CC2=CC=CC=C2)C(=O)CCl
InChI
InChI=1S/C12H14ClNO/c13-8-12(15)14(11-6-7-11)9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey
QYVHZDXCXHVJKO-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloro-N-cyclopropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

223.07639 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.083666 145.3
[M+Na]+ 246.065608 153.2
[M-H]- 222.069114 153.4
[M+NH4]+ 241.110213 159.7
[M+K]+ 262.039548 149.6
[M+H-H2O]+ 206.073650 138.6
[M+HCOO]- 268.074591 166.0
[M+CH3COO]- 282.090241 195.1
[M+Na-2H]- 244.051056 150.4
[M]+ 223.07584142 149.8
[M]- 223.07693858 149.8
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

patents stripe