CID 130514673

1-[1-(prop-2-yn-1-yl)cyclopentyl]methanamine

Structural Information

Molecular Formula
C9H15N
SMILES
C#CCC1(CCCC1)CN
InChI
InChI=1S/C9H15N/c1-2-5-9(8-10)6-3-4-7-9/h1H,3-8,10H2
InChIKey
FNIHJCOZJAAOTC-UHFFFAOYSA-N
Compound name
(1-prop-2-ynylcyclopentyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.12045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 133.1
[M+Na]+ 160.109668 141.8
[M-H]- 136.113174 134.6
[M+NH4]+ 155.154273 155.2
[M+K]+ 176.083608 137.3
[M+H-H2O]+ 120.117710 122.3
[M+HCOO]- 182.118651 150.3
[M+CH3COO]- 196.134301 183.1
[M+Na-2H]- 158.095116 136.8
[M]+ 137.11990142 123.9
[M]- 137.12099858 123.9
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

No patent data available for this compound.