CID 3049080

Lcg 21625

Structural Information

Molecular Formula
C13H25N
SMILES
CCCC(CCC)(CCC)NCC#C
InChI
InChI=1S/C13H25N/c1-5-9-13(10-6-2,11-7-3)14-12-8-4/h4,14H,5-7,9-12H2,1-3H3
InChIKey
PWBPWDVACUYDGH-UHFFFAOYSA-N
Compound name
4-propyl-N-prop-2-ynylheptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.1987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.205976 150.0
[M+Na]+ 218.187918 156.6
[M-H]- 194.191424 149.0
[M+NH4]+ 213.232523 167.4
[M+K]+ 234.161858 154.0
[M+H-H2O]+ 178.195960 139.0
[M+HCOO]- 240.196901 165.8
[M+CH3COO]- 254.212551 199.0
[M+Na-2H]- 216.173366 153.7
[M]+ 195.19815142 146.6
[M]- 195.19924858 146.6
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