CID 4388601

1,1-dimethyl-n-tert-octylallylamine

Structural Information

Molecular Formula
C13H27N
SMILES
CC(C)(C)CC(C)(C)NC(C)(C)C=C
InChI
InChI=1S/C13H27N/c1-9-12(5,6)14-13(7,8)10-11(2,3)4/h9,14H,1,10H2,2-8H3
InChIKey
DOCOFQOBLOTXDB-UHFFFAOYSA-N
Compound name
2,4,4-trimethyl-N-(2-methylbut-3-en-2-yl)pentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.21436 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.22164 151.0
[M+Na]+ 220.20358 156.3
[M-H]- 196.20708 151.1
[M+NH4]+ 215.24818 170.8
[M+K]+ 236.17752 155.0
[M+H-H2O]+ 180.21162 147.3
[M+HCOO]- 242.21256 169.1
[M+CH3COO]- 256.22821 193.0
[M+Na-2H]- 218.18903 157.1
[M]+ 197.21381 151.9
[M]- 197.21491 151.9
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.