CID 228069

4-amino-4-methylpentanoic acid hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC(C)(CCC(=O)O)N
InChI
InChI=1S/C6H13NO2/c1-6(2,7)4-3-5(8)9/h3-4,7H2,1-2H3,(H,8,9)
InChIKey
FZNOWMWZNCOYIJ-UHFFFAOYSA-N
Compound name
4-amino-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

131.09464 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.8
[M+Na]+ 154.08386 135.2
[M-H]- 130.08736 127.4
[M+NH4]+ 149.12846 149.6
[M+K]+ 170.05780 134.8
[M+H-H2O]+ 114.09190 124.7
[M+HCOO]- 176.09284 149.6
[M+CH3COO]- 190.10849 172.8
[M+Na-2H]- 152.06931 133.8
[M]+ 131.09409 127.3
[M]- 131.09519 127.3
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