CID 53746540

38079-57-1

Structural Information

Molecular Formula
C20H40N2O3
SMILES
CCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)N(C)C
InChI
InChI=1S/C20H40N2O3/c1-4-5-6-7-8-9-10-11-12-16-19(23)21-17-14-13-15-18(20(24)25)22(2)3/h18H,4-17H2,1-3H3,(H,21,23)(H,24,25)/t18-/m0/s1
InChIKey
CYGAEZQNRUGNLL-SFHVURJKSA-N
Compound name
(2S)-2-(dimethylamino)-6-(dodecanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

356.3039 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.31118 198.6
[M+Na]+ 379.29312 197.8
[M-H]- 355.29662 196.3
[M+NH4]+ 374.33772 210.5
[M+K]+ 395.26706 196.2
[M+H-H2O]+ 339.30116 190.5
[M+HCOO]- 401.30210 216.8
[M+CH3COO]- 415.31775 225.8
[M+Na-2H]- 377.27857 193.7
[M]+ 356.30335 203.6
[M]- 356.30445 203.6
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