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

7
Patents

223.07639 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08367 145.3
[M+Na]+ 246.06561 153.2
[M-H]- 222.06911 153.4
[M+NH4]+ 241.11021 159.7
[M+K]+ 262.03955 149.6
[M+H-H2O]+ 206.07365 138.6
[M+HCOO]- 268.07459 166.0
[M+CH3COO]- 282.09024 195.1
[M+Na-2H]- 244.05106 150.4
[M]+ 223.07584 149.8
[M]- 223.07694 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