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

157
Patents

127.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.143376 124.9
[M+Na]+ 150.125318 128.2
[M-H]- 126.128824 126.2
[M+NH4]+ 145.169923 145.2
[M+K]+ 166.099258 130.3
[M+H-H2O]+ 110.133360 119.5
[M+HCOO]- 172.134301 141.9
[M+CH3COO]- 186.149951 171.6
[M+Na-2H]- 148.110766 130.9
[M]+ 127.13555142 116.0
[M]- 127.13664858 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