CID 22885074

(2s)-2-(dimethylamino)-3,3-dimethylbutanoic acid

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)(C)[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C8H17NO2/c1-8(2,3)6(7(10)11)9(4)5/h6H,1-5H3,(H,10,11)/t6-/m1/s1
InChIKey
IXSYUULNYWPWNY-ZCFIWIBFSA-N
Compound name
(2S)-2-(dimethylamino)-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

159.12593 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.4
[M+Na]+ 182.11515 142.1
[M-H]- 158.11865 136.9
[M+NH4]+ 177.15975 157.2
[M+K]+ 198.08909 143.5
[M+H-H2O]+ 142.12319 132.1
[M+HCOO]- 204.12413 156.8
[M+CH3COO]- 218.13978 183.3
[M+Na-2H]- 180.10060 139.7
[M]+ 159.12538 137.3
[M]- 159.12648 137.3
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