CID 47392

64467-56-7

Structural Information

Molecular Formula
C12H27N
SMILES
CCCC(CCC)(CC(C)C)NC
InChI
InChI=1S/C12H27N/c1-6-8-12(13-5,9-7-2)10-11(3)4/h11,13H,6-10H2,1-5H3
InChIKey
MALXHNLYPQAKOY-UHFFFAOYSA-N
Compound name
N,2-dimethyl-4-propylheptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

185.21436 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.221636 150.7
[M+Na]+ 208.203578 154.9
[M-H]- 184.207084 150.3
[M+NH4]+ 203.248183 170.7
[M+K]+ 224.177518 153.9
[M+H-H2O]+ 168.211620 145.7
[M+HCOO]- 230.212561 171.0
[M+CH3COO]- 244.228211 191.4
[M+Na-2H]- 206.189026 154.2
[M]+ 185.21381142 152.4
[M]- 185.21490858 152.4
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

patents stripe