CID 114486

13281-06-6

Structural Information

Molecular Formula
C11H26N2
SMILES
CCCCC(CC)CNCCCN
InChI
InChI=1S/C11H26N2/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11,13H,3-10,12H2,1-2H3
InChIKey
XKXKBRKXBRLPNS-UHFFFAOYSA-N
Compound name
N'-(2-ethylhexyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

544
Patents

186.2096 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.21688 150.6
[M+Na]+ 209.19882 153.8
[M-H]- 185.20232 149.4
[M+NH4]+ 204.24342 169.7
[M+K]+ 225.17276 152.3
[M+H-H2O]+ 169.20686 144.4
[M+HCOO]- 231.20780 173.1
[M+CH3COO]- 245.22345 192.2
[M+Na-2H]- 207.18427 153.0
[M]+ 186.20905 150.4
[M]- 186.21015 150.4
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

No patent data available for this compound.