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

64
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 151.8
[M+Na]+ 250.09692 154.4
[M-H]- 226.10042 147.0
[M+NH4]+ 245.14152 177.3
[M+K]+ 266.07086 150.2
[M+H-H2O]+ 210.10496 147.3
[M+HCOO]- 272.10590 155.4
[M+CH3COO]- 286.12155 160.3
[M+Na-2H]- 248.08237 162.1
[M]+ 227.10715 152.6
[M]- 227.10825 152.6
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

No patent data available for this compound.