CID 118823

1-butanamine, 3-methyl-n-(3-methylbutylidene)-

Structural Information

Molecular Formula
C10H21N
SMILES
CC(C)CCN=CCC(C)C
InChI
InChI=1S/C10H21N/c1-9(2)5-7-11-8-6-10(3)4/h7,9-10H,5-6,8H2,1-4H3
InChIKey
WYNULUURQZBBSK-UHFFFAOYSA-N
Compound name
3-methyl-N-(3-methylbutyl)butan-1-imine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

76
Patents

155.1674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.17468 140.4
[M+Na]+ 178.15662 145.5
[M-H]- 154.16012 141.7
[M+NH4]+ 173.20122 162.1
[M+K]+ 194.13056 145.5
[M+H-H2O]+ 138.16466 135.0
[M+HCOO]- 200.16560 163.7
[M+CH3COO]- 214.18125 187.0
[M+Na-2H]- 176.14207 143.6
[M]+ 155.16685 142.3
[M]- 155.16795 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe