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

13
Patents

141.15175 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 134.3
[M+Na]+ 164.14097 140.8
[M-H]- 140.14447 134.8
[M+NH4]+ 159.18557 156.2
[M+K]+ 180.11491 140.0
[M+H-H2O]+ 124.14901 130.6
[M+HCOO]- 186.14995 155.3
[M+CH3COO]- 200.16560 180.2
[M+Na-2H]- 162.12642 141.5
[M]+ 141.15120 134.2
[M]- 141.15230 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