CID 19854993

Tridecane-1,13-diamine

Structural Information

Molecular Formula
C13H30N2
SMILES
C(CCCCCCN)CCCCCCN
InChI
InChI=1S/C13H30N2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h1-15H2
InChIKey
BPSKTAWBYDTMAN-UHFFFAOYSA-N
Compound name
tridecane-1,13-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4715
Patents

214.2409 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.248176 158.2
[M+Na]+ 237.230118 160.7
[M-H]- 213.233624 155.9
[M+NH4]+ 232.274723 175.8
[M+K]+ 253.204058 157.9
[M+H-H2O]+ 197.238160 151.5
[M+HCOO]- 259.239101 180.4
[M+CH3COO]- 273.254751 196.8
[M+Na-2H]- 235.215566 159.8
[M]+ 214.24035142 158.4
[M]- 214.24144858 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe