CID 111244

N-isobutylideneisobutylamine

Structural Information

Molecular Formula
C8H17N
SMILES
CC(C)CN=CC(C)C
InChI
InChI=1S/C8H17N/c1-7(2)5-9-6-8(3)4/h5,7-8H,6H2,1-4H3
InChIKey
SOJXDJJIMYWISJ-UHFFFAOYSA-N
Compound name
2-methyl-N-(2-methylpropyl)propan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

127.1361 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.143376 131.0
[M+Na]+ 150.125318 136.9
[M-H]- 126.128824 132.6
[M+NH4]+ 145.169923 153.8
[M+K]+ 166.099258 137.5
[M+H-H2O]+ 110.133360 126.0
[M+HCOO]- 172.134301 154.9
[M+CH3COO]- 186.149951 180.9
[M+Na-2H]- 148.110766 135.3
[M]+ 127.13555142 132.1
[M]- 127.13664858 132.1
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