CID 8085

Diisobutylamine

Structural Information

Molecular Formula
C8H19N
SMILES
CC(C)CNCC(C)C
InChI
InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3
InChIKey
NJBCRXCAPCODGX-UHFFFAOYSA-N
Compound name
2-methyl-N-(2-methylpropyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

27625
Patents

129.15175 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.15903 133.4
[M+Na]+ 152.14097 138.4
[M-H]- 128.14447 133.4
[M+NH4]+ 147.18557 155.3
[M+K]+ 168.11491 138.6
[M+H-H2O]+ 112.14901 128.5
[M+HCOO]- 174.14995 155.5
[M+CH3COO]- 188.16560 179.8
[M+Na-2H]- 150.12642 137.0
[M]+ 129.15120 133.2
[M]- 129.15230 133.2
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