CID 16739337

944716-73-8

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

283
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 141.4
[M+Na]+ 209.12605 148.9
[M+NH4]+ 204.17065 148.1
[M+K]+ 225.09999 147.6
[M-H]- 185.12955 148.0
[M+Na-2H]- 207.11150 146.0
[M]+ 186.13628 144.8
[M]- 186.13738 144.8
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