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 155.3
[M+Na]+ 222.21922 159.1
[M-H]- 198.22272 154.7
[M+NH4]+ 217.26382 174.8
[M+K]+ 238.19316 157.9
[M+H-H2O]+ 182.22726 150.1
[M+HCOO]- 244.22820 175.3
[M+CH3COO]- 258.24385 194.5
[M+Na-2H]- 220.20467 158.2
[M]+ 199.22945 157.4
[M]- 199.23055 157.4
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