CID 117951

1,3-propanediamine, n-[3-(isooctyloxy)propyl]-

Structural Information

Molecular Formula
C14H32N2O
SMILES
CC(C)CCCCCOCCCNCCCN
InChI
InChI=1S/C14H32N2O/c1-14(2)8-4-3-5-12-17-13-7-11-16-10-6-9-15/h14,16H,3-13,15H2,1-2H3
InChIKey
HEVQBLROGBPURW-UHFFFAOYSA-N
Compound name
N'-[3-(6-methylheptoxy)propyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

244.25146 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.25874 166.7
[M+Na]+ 267.24068 168.6
[M-H]- 243.24418 164.9
[M+NH4]+ 262.28528 183.4
[M+K]+ 283.21462 166.8
[M+H-H2O]+ 227.24872 159.7
[M+HCOO]- 289.24966 188.5
[M+CH3COO]- 303.26531 203.3
[M+Na-2H]- 265.22613 167.6
[M]+ 244.25091 169.1
[M]- 244.25201 169.1
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