CID 16739337

(2s,3s)-3-amino-n-cyclopropyl-2-hydroxyhexanamide

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
3
Annotation Hits

0
References

291
Patents

186.13683 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 139.5
[M+Na]+ 209.126048 145.2
[M-H]- 185.129554 142.0
[M+NH4]+ 204.170653 152.9
[M+K]+ 225.099988 142.6
[M+H-H2O]+ 169.134090 133.4
[M+HCOO]- 231.135031 160.6
[M+CH3COO]- 245.150681 189.4
[M+Na-2H]- 207.111496 141.4
[M]+ 186.13628142 139.2
[M]- 186.13737858 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