CID 244074

2-chloro-n-(heptan-2-yl)acetamide

Structural Information

Molecular Formula
C9H18ClNO
SMILES
CCCCCC(C)NC(=O)CCl
InChI
InChI=1S/C9H18ClNO/c1-3-4-5-6-8(2)11-9(12)7-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKey
OVPAMQUUIXGWGZ-UHFFFAOYSA-N
Compound name
2-chloro-N-heptan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.1077 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11498 145.5
[M+Na]+ 214.09692 151.3
[M-H]- 190.10042 145.3
[M+NH4]+ 209.14152 165.8
[M+K]+ 230.07086 148.8
[M+H-H2O]+ 174.10496 141.2
[M+HCOO]- 236.10590 163.3
[M+CH3COO]- 250.12155 186.9
[M+Na-2H]- 212.08237 148.2
[M]+ 191.10715 148.3
[M]- 191.10825 148.3
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.