CID 3852689

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

Structural Information

Molecular Formula
C12H20ClNO
SMILES
CC(C1CC2CCC1C2)NC(=O)C(C)Cl
InChI
InChI=1S/C12H20ClNO/c1-7(13)12(15)14-8(2)11-6-9-3-4-10(11)5-9/h7-11H,3-6H2,1-2H3,(H,14,15)
InChIKey
ZWRHZCDJUHUGET-UHFFFAOYSA-N
Compound name
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.12334 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13062 160.2
[M+Na]+ 252.11256 165.1
[M-H]- 228.11606 162.3
[M+NH4]+ 247.15716 183.7
[M+K]+ 268.08650 161.7
[M+H-H2O]+ 212.12060 156.1
[M+HCOO]- 274.12154 174.2
[M+CH3COO]- 288.13719 193.3
[M+Na-2H]- 250.09801 158.3
[M]+ 229.12279 159.2
[M]- 229.12389 159.2
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.