CID 70132334

3-pentylazetidine hydrochloride

Structural Information

Molecular Formula
C8H17N
SMILES
CCCCCC1CNC1
InChI
InChI=1S/C8H17N/c1-2-3-4-5-8-6-9-7-8/h8-9H,2-7H2,1H3
InChIKey
QZSXKWVMVLPQAL-UHFFFAOYSA-N
Compound name
3-pentylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

127.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 128.3
[M+Na]+ 150.12532 134.3
[M+NH4]+ 145.16992 132.9
[M+K]+ 166.09926 129.9
[M-H]- 126.12882 126.4
[M+Na-2H]- 148.11077 130.7
[M]+ 127.13555 127.3
[M]- 127.13665 127.3
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