CID 21479113

4,4-dimethylazepane

Structural Information

Molecular Formula
C8H17N
SMILES
CC1(CCCNCC1)C
InChI
InChI=1S/C8H17N/c1-8(2)4-3-6-9-7-5-8/h9H,3-7H2,1-2H3
InChIKey
UVGRQCORQQWAMY-UHFFFAOYSA-N
Compound name
4,4-dimethylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

127.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 124.9
[M+Na]+ 150.12532 128.2
[M-H]- 126.12882 126.2
[M+NH4]+ 145.16992 145.2
[M+K]+ 166.09926 130.3
[M+H-H2O]+ 110.13336 119.5
[M+HCOO]- 172.13430 141.9
[M+CH3COO]- 186.14995 171.6
[M+Na-2H]- 148.11077 130.9
[M]+ 127.13555 116.0
[M]- 127.13665 116.0
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