CID 47394

4-propyl-n,n,2-trimethyl-4-heptanamine hydrochloride

Structural Information

Molecular Formula
C13H29N
SMILES
CCCC(CCC)(CC(C)C)N(C)C
InChI
InChI=1S/C13H29N/c1-7-9-13(10-8-2,14(5)6)11-12(3)4/h12H,7-11H2,1-6H3
InChIKey
LILGNMKYDJIDKZ-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-4-propylheptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

199.23 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.23728 154.7
[M+Na]+ 222.21922 158.6
[M-H]- 198.22272 155.6
[M+NH4]+ 217.26382 174.8
[M+K]+ 238.19316 158.8
[M+H-H2O]+ 182.22726 149.3
[M+HCOO]- 244.22820 175.2
[M+CH3COO]- 258.24385 198.0
[M+Na-2H]- 220.20467 156.9
[M]+ 199.22945 158.0
[M]- 199.23055 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe