CID 122476

29773-01-1

Structural Information

Molecular Formula
C9H21N
SMILES
CC(C)(C)C(C)(C)N(C)C
InChI
InChI=1S/C9H21N/c1-8(2,3)9(4,5)10(6)7/h1-7H3
InChIKey
DDXWCWBJFFJKGP-UHFFFAOYSA-N
Compound name
N,N,2,3,3-pentamethylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

143.1674 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.17468 134.4
[M+Na]+ 166.15662 140.8
[M-H]- 142.16012 136.4
[M+NH4]+ 161.20122 157.0
[M+K]+ 182.13056 142.1
[M+H-H2O]+ 126.16466 130.5
[M+HCOO]- 188.16560 155.7
[M+CH3COO]- 202.18125 184.9
[M+Na-2H]- 164.14207 140.9
[M]+ 143.16685 136.3
[M]- 143.16795 136.3
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