CID 2760933

3-amino-3-methylbutanoic acid

Structural Information

Molecular Formula
C5H11NO2
SMILES
CC(C)(CC(=O)O)N
InChI
InChI=1S/C5H11NO2/c1-5(2,6)3-4(7)8/h3,6H2,1-2H3,(H,7,8)
InChIKey
NFQAIWOMJQWGSS-UHFFFAOYSA-N
Compound name
3-amino-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1033
Patents

117.07898 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.08626 124.1
[M+Na]+ 140.06820 131.0
[M-H]- 116.07170 122.9
[M+NH4]+ 135.11280 145.5
[M+K]+ 156.04214 130.8
[M+H-H2O]+ 100.07624 120.3
[M+HCOO]- 162.07718 145.2
[M+CH3COO]- 176.09283 169.7
[M+Na-2H]- 138.05365 129.7
[M]+ 117.07843 122.3
[M]- 117.07953 122.3
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