CID 47380

64467-46-5

Structural Information

Molecular Formula
C12H27N
SMILES
CCCC(CCC)(CCC)N(C)C
InChI
InChI=1S/C12H27N/c1-6-9-12(10-7-2,11-8-3)13(4)5/h6-11H2,1-5H3
InChIKey
IOHZJCCMJGFCGF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-propylheptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

185.21436 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.221636 150.1
[M+Na]+ 208.203578 154.7
[M-H]- 184.207084 151.1
[M+NH4]+ 203.248183 170.8
[M+K]+ 224.177518 154.6
[M+H-H2O]+ 168.211620 144.8
[M+HCOO]- 230.212561 171.9
[M+CH3COO]- 244.228211 194.2
[M+Na-2H]- 206.189026 154.1
[M]+ 185.21381142 153.7
[M]- 185.21490858 153.7
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