CID 61155007

(2s)-2-amino-n-(2-hydroxyethyl)-4-methylpentanamide hydrochloride

Structural Information

Molecular Formula
C8H18N2O2
SMILES
CC(C)C[C@@H](C(=O)NCCO)N
InChI
InChI=1S/C8H18N2O2/c1-6(2)5-7(9)8(12)10-3-4-11/h6-7,11H,3-5,9H2,1-2H3,(H,10,12)/t7-/m0/s1
InChIKey
SWVVOFQOQQHCRU-ZETCQYMHSA-N
Compound name
(2S)-2-amino-N-(2-hydroxyethyl)-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

174.13683 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14411 143.5
[M+Na]+ 197.12605 147.3
[M-H]- 173.12955 141.5
[M+NH4]+ 192.17065 162.0
[M+K]+ 213.09999 147.0
[M+H-H2O]+ 157.13409 137.8
[M+HCOO]- 219.13503 164.2
[M+CH3COO]- 233.15068 184.9
[M+Na-2H]- 195.11150 144.3
[M]+ 174.13628 141.0
[M]- 174.13738 141.0
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