CID 165913858

(2s)-2,4-bis(dimethylamino)butanoic acid dihydrochloride

Structural Information

Molecular Formula
C8H18N2O2
SMILES
CN(C)CC[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C8H18N2O2/c1-9(2)6-5-7(8(11)12)10(3)4/h7H,5-6H2,1-4H3,(H,11,12)/t7-/m0/s1
InChIKey
KYCKRIGTCBAKCT-ZETCQYMHSA-N
Compound name
(2S)-2,4-bis(dimethylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.13683 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14411 142.1
[M+Na]+ 197.12605 146.5
[M-H]- 173.12955 143.7
[M+NH4]+ 192.17065 162.3
[M+K]+ 213.09999 148.9
[M+H-H2O]+ 157.13409 136.2
[M+HCOO]- 219.13503 165.5
[M+CH3COO]- 233.15068 192.2
[M+Na-2H]- 195.11150 143.9
[M]+ 174.13628 144.0
[M]- 174.13738 144.0
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

No patent data available for this compound.