CID 47380

N,n-dimethyl-4-propyl-4-heptanamine hydrochloride

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

2
Patents

185.21436 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.22164 150.1
[M+Na]+ 208.20358 154.7
[M-H]- 184.20708 151.1
[M+NH4]+ 203.24818 170.8
[M+K]+ 224.17752 154.6
[M+H-H2O]+ 168.21162 144.8
[M+HCOO]- 230.21256 171.9
[M+CH3COO]- 244.22821 194.2
[M+Na-2H]- 206.18903 154.1
[M]+ 185.21381 153.7
[M]- 185.21491 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