CID 2386089

100395-94-6

Structural Information

Molecular Formula
C12H24ClNO
SMILES
CC(C)CCN(CCC(C)C)C(=O)CCl
InChI
InChI=1S/C12H24ClNO/c1-10(2)5-7-14(12(15)9-13)8-6-11(3)4/h10-11H,5-9H2,1-4H3
InChIKey
KPTCQTDZEHPOQF-UHFFFAOYSA-N
Compound name
2-chloro-N,N-bis(3-methylbutyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15465 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16193 158.9
[M+Na]+ 256.14387 163.6
[M-H]- 232.14737 159.8
[M+NH4]+ 251.18847 178.2
[M+K]+ 272.11781 162.0
[M+H-H2O]+ 216.15191 154.1
[M+HCOO]- 278.15285 175.3
[M+CH3COO]- 292.16850 200.4
[M+Na-2H]- 254.12932 158.1
[M]+ 233.15410 163.6
[M]- 233.15520 163.6
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.