CID 61716048

1485713-07-2

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCC(C)(C)NC(C)C(=O)O
InChI
InChI=1S/C8H17NO2/c1-5-8(3,4)9-6(2)7(10)11/h6,9H,5H2,1-4H3,(H,10,11)
InChIKey
WBRIDAVUKDCTPN-UHFFFAOYSA-N
Compound name
2-(2-methylbutan-2-ylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.5
[M+Na]+ 182.11515 142.8
[M-H]- 158.11865 136.4
[M+NH4]+ 177.15975 157.4
[M+K]+ 198.08909 142.8
[M+H-H2O]+ 142.12319 133.1
[M+HCOO]- 204.12413 157.3
[M+CH3COO]- 218.13978 180.4
[M+Na-2H]- 180.10060 141.3
[M]+ 159.12538 137.1
[M]- 159.12648 137.1
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

No patent data available for this compound.