CID 53685599

(2s)-2-cyclopropyl-2-(dimethylamino)acetic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
CN(C)[C@@H](C1CC1)C(=O)O
InChI
InChI=1S/C7H13NO2/c1-8(2)6(7(9)10)5-3-4-5/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKey
BJQPNDLYNSINAJ-LURJTMIESA-N
Compound name
(2S)-2-cyclopropyl-2-(dimethylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

143.09464 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 129.5
[M+Na]+ 166.083858 137.0
[M-H]- 142.087364 134.3
[M+NH4]+ 161.128463 145.8
[M+K]+ 182.057798 136.4
[M+H-H2O]+ 126.091900 123.7
[M+HCOO]- 188.092841 152.2
[M+CH3COO]- 202.108491 182.4
[M+Na-2H]- 164.069306 133.4
[M]+ 143.09409142 132.0
[M]- 143.09518858 132.0
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