CID 306142

N-acetyl-dl-norleucine

Structural Information

Molecular Formula
C8H15NO3
SMILES
CCCCC(C(=O)O)NC(=O)C
InChI
InChI=1S/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKey
JDMCEGLQFSOMQH-UHFFFAOYSA-N
Compound name
2-acetamidohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3567
Patents

173.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 140.2
[M+Na]+ 196.094418 145.2
[M-H]- 172.097924 138.8
[M+NH4]+ 191.139023 159.3
[M+K]+ 212.068358 145.1
[M+H-H2O]+ 156.102460 135.0
[M+HCOO]- 218.103401 160.9
[M+CH3COO]- 232.119051 181.5
[M+Na-2H]- 194.079866 142.0
[M]+ 173.10465142 140.3
[M]- 173.10574858 140.3
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