CID 65812948

(2s)-2-amino-n-butylbutanamide hydrochloride

Structural Information

Molecular Formula
C8H18N2O
SMILES
CCCCNC(=O)[C@@H](CC)N
InChI
InChI=1S/C8H18N2O/c1-3-5-6-10-8(11)7(9)4-2/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKey
XOQMVFUADMEGRE-SSDOTTSWSA-N
Compound name
(2R)-2-amino-N-butylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.1419 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.14918 139.7
[M+Na]+ 181.13112 144.2
[M-H]- 157.13462 139.1
[M+NH4]+ 176.17572 159.7
[M+K]+ 197.10506 143.8
[M+H-H2O]+ 141.13916 134.0
[M+HCOO]- 203.14010 162.6
[M+CH3COO]- 217.15575 184.4
[M+Na-2H]- 179.11657 142.3
[M]+ 158.14135 138.3
[M]- 158.14245 138.3
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

No patent data available for this compound.