CID 16739337

Hexanamide, 3-amino-n-cyclopropyl-2-hydroxy-, hydrochloride (1:1), (2s,3s)-

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CCC[C@@H]([C@@H](C(=O)NC1CC1)O)N
InChI
InChI=1S/C9H18N2O2/c1-2-3-7(10)8(12)9(13)11-6-4-5-6/h6-8,12H,2-5,10H2,1H3,(H,11,13)/t7-,8-/m0/s1
InChIKey
DRNGSSWBFKDSEE-YUMQZZPRSA-N
Compound name
(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

186.13683 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 139.5
[M+Na]+ 209.12605 145.2
[M-H]- 185.12955 142.0
[M+NH4]+ 204.17065 152.9
[M+K]+ 225.09999 142.6
[M+H-H2O]+ 169.13409 133.4
[M+HCOO]- 231.13503 160.6
[M+CH3COO]- 245.15068 189.4
[M+Na-2H]- 207.11150 141.4
[M]+ 186.13628 139.2
[M]- 186.13738 139.2
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