CID 21056549

2241129-88-2

Structural Information

Molecular Formula
C8H17N
SMILES
CC(C)(C)CC1CNC1
InChI
InChI=1S/C8H17N/c1-8(2,3)4-7-5-9-6-7/h7,9H,4-6H2,1-3H3
InChIKey
VNVOYYSIUYHZQH-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

127.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 129.6
[M+Na]+ 150.12532 135.3
[M+NH4]+ 145.16992 133.9
[M+K]+ 166.09926 132.0
[M-H]- 126.12882 127.0
[M+Na-2H]- 148.11077 131.8
[M]+ 127.13555 128.4
[M]- 127.13665 128.4
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