CID 10261121

2-(isobutylamino)acetic acid

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC(C)CNCC(=O)O
InChI
InChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
InChIKey
VKZGJEWGVNFKPE-UHFFFAOYSA-N
Compound name
2-(2-methylpropylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2920
Patents

131.09464 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 129.2
[M+Na]+ 154.08386 135.0
[M-H]- 130.08736 128.2
[M+NH4]+ 149.12846 150.2
[M+K]+ 170.05780 135.0
[M+H-H2O]+ 114.09190 124.5
[M+HCOO]- 176.09284 151.2
[M+CH3COO]- 190.10849 174.1
[M+Na-2H]- 152.06931 133.3
[M]+ 131.09409 128.6
[M]- 131.09519 128.6
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