CID 566539

N-allyl-n-tert-butylamine

Structural Information

Molecular Formula
C7H15N
SMILES
CC(C)(C)NCC=C
InChI
InChI=1S/C7H15N/c1-5-6-8-7(2,3)4/h5,8H,1,6H2,2-4H3
InChIKey
MDFOQCKFSUMLET-UHFFFAOYSA-N
Compound name
2-methyl-N-prop-2-enylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

113.12045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.12773 126.3
[M+Na]+ 136.10967 136.2
[M+NH4]+ 131.15427 134.6
[M+K]+ 152.08361 130.5
[M-H]- 112.11317 126.3
[M+Na-2H]- 134.09512 130.7
[M]+ 113.11990 127.6
[M]- 113.12100 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe