CID 116672

70660-61-6

Structural Information

Molecular Formula
C13H29NO
SMILES
CC(C)CC(C)CC(C)COCCCN
InChI
InChI=1S/C13H29NO/c1-11(2)8-12(3)9-13(4)10-15-7-5-6-14/h11-13H,5-10,14H2,1-4H3
InChIKey
PYGQSOZHWWYOSL-UHFFFAOYSA-N
Compound name
3-(2,4,6-trimethylheptoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

215.22491 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.232186 160.6
[M+Na]+ 238.214128 163.4
[M-H]- 214.217634 159.3
[M+NH4]+ 233.258733 178.8
[M+K]+ 254.188068 162.8
[M+H-H2O]+ 198.222170 154.6
[M+HCOO]- 260.223111 179.7
[M+CH3COO]- 274.238761 197.0
[M+Na-2H]- 236.199576 159.1
[M]+ 215.22436142 162.2
[M]- 215.22545858 162.2
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.