CID 6434875

Lcg 21623

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]+ 198.22164 153.6
[M+Na]+ 220.20358 158.0
[M-H]- 196.20708 153.0
[M+NH4]+ 215.24818 173.2
[M+K]+ 236.17752 155.7
[M+H-H2O]+ 180.21162 148.4
[M+HCOO]- 242.21256 174.8
[M+CH3COO]- 256.22821 192.0
[M+Na-2H]- 218.18903 157.8
[M]+ 197.21381 155.5
[M]- 197.21491 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.