CID 6951123

31321-74-1

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)C[C@H](C(=O)O)NC
InChI
InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m1/s1
InChIKey
XJODGRWDFZVTKW-ZCFIWIBFSA-N
Compound name
(2R)-4-methyl-2-(methylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4082
Patents

145.11028 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 134.2
[M+Na]+ 168.099498 139.3
[M-H]- 144.103004 133.0
[M+NH4]+ 163.144103 154.5
[M+K]+ 184.073438 139.6
[M+H-H2O]+ 128.107540 129.3
[M+HCOO]- 190.108481 154.8
[M+CH3COO]- 204.124131 178.0
[M+Na-2H]- 166.084946 136.5
[M]+ 145.10973142 133.3
[M]- 145.11082858 133.3
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