CID 94840

N-butylidenebutylamine

Structural Information

Molecular Formula
C8H17N
SMILES
CCCCN=CCCC
InChI
InChI=1S/C8H17N/c1-3-5-7-9-8-6-4-2/h7H,3-6,8H2,1-2H3
InChIKey
GMYLJUMIAPOWOO-UHFFFAOYSA-N
Compound name
N-butylbutan-1-imine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

68
Patents

127.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 129.8
[M+Na]+ 150.12532 140.3
[M+NH4]+ 145.16992 138.5
[M+K]+ 166.09926 132.9
[M-H]- 126.12882 131.0
[M+Na-2H]- 148.11077 134.7
[M]+ 127.13555 131.5
[M]- 127.13665 131.5
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