CID 245009

6622-06-6

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(C)(C)NC(=O)CCC(=O)O
InChI
InChI=1S/C8H15NO3/c1-8(2,3)9-6(10)4-5-7(11)12/h4-5H2,1-3H3,(H,9,10)(H,11,12)
InChIKey
PDGXYMRZBNNOTC-UHFFFAOYSA-N
Compound name
4-(tert-butylamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

173.1052 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 139.1
[M+Na]+ 196.09442 144.9
[M-H]- 172.09792 138.1
[M+NH4]+ 191.13902 158.6
[M+K]+ 212.06836 144.8
[M+H-H2O]+ 156.10246 134.7
[M+HCOO]- 218.10340 159.4
[M+CH3COO]- 232.11905 180.2
[M+Na-2H]- 194.07987 143.1
[M]+ 173.10465 139.4
[M]- 173.10575 139.4
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