CID 4400212

1177339-95-5

Structural Information

Molecular Formula
C8H17N
SMILES
CC(C)C1CCCCN1
InChI
InChI=1S/C8H17N/c1-7(2)8-5-3-4-6-9-8/h7-9H,3-6H2,1-2H3
InChIKey
UGZMDPJPZIDCOA-UHFFFAOYSA-N
Compound name
2-propan-2-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

571
Patents

127.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 130.8
[M+Na]+ 150.12532 134.8
[M-H]- 126.12882 130.6
[M+NH4]+ 145.16992 150.7
[M+K]+ 166.09926 133.5
[M+H-H2O]+ 110.13336 124.9
[M+HCOO]- 172.13430 147.5
[M+CH3COO]- 186.14995 170.3
[M+Na-2H]- 148.11077 134.8
[M]+ 127.13555 124.0
[M]- 127.13665 124.0
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