CID 21997836

6,6-dimethylheptan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H21N
SMILES
CC(C)(C)CCCCCN
InChI
InChI=1S/C9H21N/c1-9(2,3)7-5-4-6-8-10/h4-8,10H2,1-3H3
InChIKey
NNUMRIGSTCXICO-UHFFFAOYSA-N
Compound name
6,6-dimethylheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

143.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.174676 137.3
[M+Na]+ 166.156618 143.0
[M-H]- 142.160124 136.9
[M+NH4]+ 161.201223 158.8
[M+K]+ 182.130558 142.1
[M+H-H2O]+ 126.164660 132.9
[M+HCOO]- 188.165601 159.0
[M+CH3COO]- 202.181251 180.1
[M+Na-2H]- 164.142066 142.5
[M]+ 143.16685142 137.4
[M]- 143.16794858 137.4
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