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
1
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]+ 216.23219 157.3
[M+Na]+ 238.21413 164.4
[M+NH4]+ 233.25873 164.0
[M+K]+ 254.18807 159.4
[M-H]- 214.21763 156.6
[M+Na-2H]- 236.19958 158.3
[M]+ 215.22436 157.8
[M]- 215.22546 157.8
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.