CID 414246

2-(tert-butylamino)acetic acid

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC(C)(C)NCC(=O)O
InChI
InChI=1S/C6H13NO2/c1-6(2,3)7-4-5(8)9/h7H,4H2,1-3H3,(H,8,9)
InChIKey
TXHAHOVNFDVCCC-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24216
Patents

131.09464 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 128.5
[M+Na]+ 154.083858 135.0
[M-H]- 130.087364 127.7
[M+NH4]+ 149.128463 149.7
[M+K]+ 170.057798 135.0
[M+H-H2O]+ 114.091900 124.5
[M+HCOO]- 176.092841 150.0
[M+CH3COO]- 190.108491 172.8
[M+Na-2H]- 152.069306 134.6
[M]+ 131.09409142 128.0
[M]- 131.09518858 128.0
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