CID 93599982

[(2s)-2-amino-3-methylbutyl](ethyl)amine

Structural Information

Molecular Formula
C7H18N2
SMILES
CCNC[C@H](C(C)C)N
InChI
InChI=1S/C7H18N2/c1-4-9-5-7(8)6(2)3/h6-7,9H,4-5,8H2,1-3H3/t7-/m1/s1
InChIKey
SLYXZCWXDBXVIS-SSDOTTSWSA-N
Compound name
(2S)-1-N-ethyl-3-methylbutane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

130.147 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.154276 133.5
[M+Na]+ 153.136218 138.1
[M-H]- 129.139724 133.1
[M+NH4]+ 148.180823 154.7
[M+K]+ 169.110158 138.1
[M+H-H2O]+ 113.144260 128.1
[M+HCOO]- 175.145201 156.2
[M+CH3COO]- 189.160851 180.9
[M+Na-2H]- 151.121666 136.6
[M]+ 130.14645142 131.1
[M]- 130.14754858 131.1
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