CID 64161

5689-59-8

Structural Information

Molecular Formula
C12H18ClNO
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)CCl
InChI
InChI=1S/C12H18ClNO/c13-7-11(15)14-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,14,15)
InChIKey
PJRVXDKETNCCKR-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

59
Patents

227.1077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11498 148.2
[M+Na]+ 250.09692 157.5
[M+NH4]+ 245.14152 161.4
[M+K]+ 266.07086 147.6
[M-H]- 226.10042 146.9
[M+Na-2H]- 248.08237 146.1
[M]+ 227.10715 149.4
[M]- 227.10825 149.4
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