CID 11018900

(r)-2-(aminomethyl)-3-methylbutanoic acid

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC(C)[C@H](CN)C(=O)O
InChI
InChI=1S/C6H13NO2/c1-4(2)5(3-7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKey
UUQYMNPVPQLPID-YFKPBYRVSA-N
Compound name
(2R)-2-(aminomethyl)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

131.09464 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 129.1
[M+Na]+ 154.08386 136.5
[M+NH4]+ 149.12846 135.6
[M+K]+ 170.05780 133.9
[M-H]- 130.08736 127.3
[M+Na-2H]- 152.06931 130.6
[M]+ 131.09409 129.1
[M]- 131.09519 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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