CID 14274716

N,n-dipropyl-l-alanine

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCCN(CCC)[C@@H](C)C(=O)O
InChI
InChI=1S/C9H19NO2/c1-4-6-10(7-5-2)8(3)9(11)12/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKey
GZRZQYMPUHUFSQ-QMMMGPOBSA-N
Compound name
(2S)-2-(dipropylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

173.14159 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 142.8
[M+Na]+ 196.130808 147.5
[M-H]- 172.134314 142.7
[M+NH4]+ 191.175413 162.7
[M+K]+ 212.104748 148.1
[M+H-H2O]+ 156.138850 137.4
[M+HCOO]- 218.139791 164.3
[M+CH3COO]- 232.155441 186.7
[M+Na-2H]- 194.116256 144.6
[M]+ 173.14104142 144.6
[M]- 173.14213858 144.6
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