CID 14477

N-tert-butyl-1,1-dimethylallylamine

Structural Information

Molecular Formula
C9H19N
SMILES
CC(C)(C)NC(C)(C)C=C
InChI
InChI=1S/C9H19N/c1-7-9(5,6)10-8(2,3)4/h7,10H,1H2,2-6H3
InChIKey
SXGXCSASZBCDRM-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-methylbut-3-en-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

141.15175 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.159026 134.3
[M+Na]+ 164.140968 140.8
[M-H]- 140.144474 134.8
[M+NH4]+ 159.185573 156.2
[M+K]+ 180.114908 140.0
[M+H-H2O]+ 124.149010 130.6
[M+HCOO]- 186.149951 155.3
[M+CH3COO]- 200.165601 180.2
[M+Na-2H]- 162.126416 141.5
[M]+ 141.15120142 134.2
[M]- 141.15229858 134.2
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

patents stripe