CID 18331994

Tert-amyl-tert-octylamine

Structural Information

Molecular Formula
C13H29N
SMILES
CCC(C)(C)NC(C)(C)CC(C)(C)C
InChI
InChI=1S/C13H29N/c1-9-12(5,6)14-13(7,8)10-11(2,3)4/h14H,9-10H2,1-8H3
InChIKey
RMRFHMLPQSZGLP-UHFFFAOYSA-N
Compound name
2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

199.23 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.237276 152.7
[M+Na]+ 222.219218 157.7
[M-H]- 198.222724 152.8
[M+NH4]+ 217.263823 172.5
[M+K]+ 238.193158 157.0
[M+H-H2O]+ 182.227260 148.9
[M+HCOO]- 244.228201 170.6
[M+CH3COO]- 258.243851 194.0
[M+Na-2H]- 220.204666 158.7
[M]+ 199.22945142 154.3
[M]- 199.23054858 154.3
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