CID 47403

N-(1-methylethyl)-4-propyl-4-heptanamine hydrochloride

Structural Information

Molecular Formula
C13H29N
SMILES
CCCC(CCC)(CCC)NC(C)C
InChI
InChI=1S/C13H29N/c1-6-9-13(10-7-2,11-8-3)14-12(4)5/h12,14H,6-11H2,1-5H3
InChIKey
HFOVYKMFOFLDLN-UHFFFAOYSA-N
Compound name
N-propan-2-yl-4-propylheptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.23 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.23728 153.8
[M+Na]+ 222.21922 162.1
[M+NH4]+ 217.26382 161.3
[M+K]+ 238.19316 155.9
[M-H]- 198.22272 153.6
[M+Na-2H]- 220.20467 156.4
[M]+ 199.22945 154.8
[M]- 199.23055 154.8
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