CID 2724877

D-isovaline

Structural Information

Molecular Formula
C5H11NO2
SMILES
CC[C@](C)(C(=O)O)N
InChI
InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKey
GCHPUFAZSONQIV-RXMQYKEDSA-N
Compound name
(2R)-2-amino-2-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

68
References

8126
Patents

117.07898 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.086256 124.1
[M+Na]+ 140.068198 131.0
[M-H]- 116.071704 122.9
[M+NH4]+ 135.112803 145.5
[M+K]+ 156.042138 130.8
[M+H-H2O]+ 100.076240 120.3
[M+HCOO]- 162.077181 145.2
[M+CH3COO]- 176.092831 169.7
[M+Na-2H]- 138.053646 129.7
[M]+ 117.07843142 122.3
[M]- 117.07952858 122.3
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.