CID 47388

64467-51-2

Structural Information

Molecular Formula
C13H29N
SMILES
CCCC(CCC)(CCC)N(C)CC
InChI
InChI=1S/C13H29N/c1-6-10-13(11-7-2,12-8-3)14(5)9-4/h6-12H2,1-5H3
InChIKey
UUTIEDHDKCISQX-UHFFFAOYSA-N
Compound name
N-ethyl-N-methyl-4-propylheptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

199.23 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.237276 154.7
[M+Na]+ 222.219218 158.9
[M-H]- 198.222724 155.6
[M+NH4]+ 217.263823 174.9
[M+K]+ 238.193158 158.6
[M+H-H2O]+ 182.227260 149.3
[M+HCOO]- 244.228201 176.2
[M+CH3COO]- 258.243851 197.2
[M+Na-2H]- 220.204666 158.2
[M]+ 199.22945142 158.7
[M]- 199.23054858 158.7
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