CID 22237512

3-cyclopentylpropan-1-amine

Structural Information

Molecular Formula
C8H17N
SMILES
C1CCC(C1)CCCN
InChI
InChI=1S/C8H17N/c9-7-3-6-8-4-1-2-5-8/h8H,1-7,9H2
InChIKey
NJSZQKRASZHMDA-UHFFFAOYSA-N
Compound name
3-cyclopentylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

127.1361 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 130.2
[M+Na]+ 150.12532 134.9
[M-H]- 126.12882 132.4
[M+NH4]+ 145.16992 153.3
[M+K]+ 166.09926 133.6
[M+H-H2O]+ 110.13336 124.5
[M+HCOO]- 172.13430 153.1
[M+CH3COO]- 186.14995 173.4
[M+Na-2H]- 148.11077 133.8
[M]+ 127.13555 125.7
[M]- 127.13665 125.7
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