CID 3138632

N-(butan-2-yl)-2-chloroacetamide

Structural Information

Molecular Formula
C6H12ClNO
SMILES
CCC(C)NC(=O)CCl
InChI
InChI=1S/C6H12ClNO/c1-3-5(2)8-6(9)4-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
NQOKLKIMNNTVAC-UHFFFAOYSA-N
Compound name
N-butan-2-yl-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

149.06075 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.068026 131.5
[M+Na]+ 172.049968 138.5
[M-H]- 148.053474 131.8
[M+NH4]+ 167.094573 153.4
[M+K]+ 188.023908 136.8
[M+H-H2O]+ 132.058010 127.8
[M+HCOO]- 194.058951 150.2
[M+CH3COO]- 208.074601 177.9
[M+Na-2H]- 170.035416 135.7
[M]+ 149.06020142 133.1
[M]- 149.06129858 133.1
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

patents stripe