CID 6434875

4-heptanamine, n-(2-propenyl)-4-propyl-, hydrochloride

Structural Information

Molecular Formula
C13H27N
SMILES
CCCC(CCC)(CCC)N/C=C/C
InChI
InChI=1S/C13H27N/c1-5-9-13(10-6-2,11-7-3)14-12-8-4/h8,12,14H,5-7,9-11H2,1-4H3/b12-8+
InChIKey
ZCSREYHHRBOCRO-XYOKQWHBSA-N
Compound name
N-[(E)-prop-1-enyl]-4-propylheptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.21436 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.221636 153.6
[M+Na]+ 220.203578 158.0
[M-H]- 196.207084 153.0
[M+NH4]+ 215.248183 173.2
[M+K]+ 236.177518 155.7
[M+H-H2O]+ 180.211620 148.4
[M+HCOO]- 242.212561 174.8
[M+CH3COO]- 256.228211 192.0
[M+Na-2H]- 218.189026 157.8
[M]+ 197.21381142 155.5
[M]- 197.21490858 155.5
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

No patent data available for this compound.