CID 13250769

2-[(propan-2-yl)amino]propanoic acid

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC(C)NC(C)C(=O)O
InChI
InChI=1S/C6H13NO2/c1-4(2)7-5(3)6(8)9/h4-5,7H,1-3H3,(H,8,9)
InChIKey
LABFFVKLPSJCAN-UHFFFAOYSA-N
Compound name
2-(propan-2-ylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

309
Patents

131.09464 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 129.5
[M+Na]+ 154.083858 135.0
[M-H]- 130.087364 128.5
[M+NH4]+ 149.128463 150.4
[M+K]+ 170.057798 135.5
[M+H-H2O]+ 114.091900 124.9
[M+HCOO]- 176.092841 150.5
[M+CH3COO]- 190.108491 175.0
[M+Na-2H]- 152.069306 132.3
[M]+ 131.09409142 128.2
[M]- 131.09518858 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe