CID 3685564

N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-2-chloroacetamide

Structural Information

Molecular Formula
C11H18ClNO
SMILES
CC(C1CC2CCC1C2)NC(=O)CCl
InChI
InChI=1S/C11H18ClNO/c1-7(13-11(14)6-12)10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H,13,14)
InChIKey
LARFYGYUBWEGFA-UHFFFAOYSA-N
Compound name
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1077 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11498 155.0
[M+Na]+ 238.09692 160.6
[M-H]- 214.10042 157.2
[M+NH4]+ 233.14152 179.1
[M+K]+ 254.07086 157.0
[M+H-H2O]+ 198.10496 150.9
[M+HCOO]- 260.10590 170.3
[M+CH3COO]- 274.12155 189.4
[M+Na-2H]- 236.08237 154.9
[M]+ 215.10715 154.3
[M]- 215.10825 154.3
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.