CID 120013

3-(isodecyloxy)propylamine

Structural Information

Molecular Formula
C13H29NO
SMILES
CC(C)CCCCCCCOCCCN
InChI
InChI=1S/C13H29NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-12,14H2,1-2H3
InChIKey
DHIBIUNZWFPELU-UHFFFAOYSA-N
Compound name
3-(8-methylnonoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

648
Patents

215.22491 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.23219 159.2
[M+Na]+ 238.21413 162.4
[M-H]- 214.21763 157.6
[M+NH4]+ 233.25873 177.5
[M+K]+ 254.18807 160.9
[M+H-H2O]+ 198.22217 153.0
[M+HCOO]- 260.22311 180.3
[M+CH3COO]- 274.23876 195.3
[M+Na-2H]- 236.19958 160.3
[M]+ 215.22436 162.1
[M]- 215.22546 162.1
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

No patent data available for this compound.