CID 29938341

102767-31-7

Structural Information

Molecular Formula
C8H15ClN2O2
SMILES
CC[C@@H](C(=O)N)NC(=O)CCCCl
InChI
InChI=1S/C8H15ClN2O2/c1-2-6(8(10)13)11-7(12)4-3-5-9/h6H,2-5H2,1H3,(H2,10,13)(H,11,12)/t6-/m0/s1
InChIKey
QBJNYRYTZPBHFT-LURJTMIESA-N
Compound name
(2S)-2-(4-chlorobutanoylamino)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

206.0822 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08948 147.3
[M+Na]+ 229.07142 152.6
[M-H]- 205.07492 146.7
[M+NH4]+ 224.11602 166.1
[M+K]+ 245.04536 150.4
[M+H-H2O]+ 189.07946 142.6
[M+HCOO]- 251.08040 165.3
[M+CH3COO]- 265.09605 190.2
[M+Na-2H]- 227.05687 148.3
[M]+ 206.08165 148.0
[M]- 206.08275 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe