CID 2818292

2-(3,3-dimethylbutanamido)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

173.1052 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe