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

279
Patents

127.1361 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.143376 130.2
[M+Na]+ 150.125318 134.9
[M-H]- 126.128824 132.4
[M+NH4]+ 145.169923 153.3
[M+K]+ 166.099258 133.6
[M+H-H2O]+ 110.133360 124.5
[M+HCOO]- 172.134301 153.1
[M+CH3COO]- 186.149951 173.4
[M+Na-2H]- 148.110766 133.8
[M]+ 127.13555142 125.7
[M]- 127.13664858 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