CID 21541751

3,3-diethylcyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H17N
SMILES
CCC1(CC(C1)N)CC
InChI
InChI=1S/C8H17N/c1-3-8(4-2)5-7(9)6-8/h7H,3-6,9H2,1-2H3
InChIKey
PVNNMRCNQWVMER-UHFFFAOYSA-N
Compound name
3,3-diethylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

127.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 130.3
[M+Na]+ 150.12532 136.0
[M-H]- 126.12882 133.7
[M+NH4]+ 145.16992 147.8
[M+K]+ 166.09926 137.9
[M+H-H2O]+ 110.13336 121.5
[M+HCOO]- 172.13430 152.1
[M+CH3COO]- 186.14995 179.5
[M+Na-2H]- 148.11077 135.5
[M]+ 127.13555 136.9
[M]- 127.13665 136.9
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