CID 130651472

1823581-60-7

Structural Information

Molecular Formula
C9H15N
SMILES
C#CC1(CCCCCC1)N
InChI
InChI=1S/C9H15N/c1-2-9(10)7-5-3-4-6-8-9/h1H,3-8,10H2
InChIKey
DJSBRDCUNWJOSG-UHFFFAOYSA-N
Compound name
1-ethynylcycloheptan-1-amine
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 128.6
[M+Na]+ 160.109668 134.4
[M-H]- 136.113174 131.0
[M+NH4]+ 155.154273 147.6
[M+K]+ 176.083608 133.8
[M+H-H2O]+ 120.117710 118.5
[M+HCOO]- 182.118651 143.3
[M+CH3COO]- 196.134301 185.3
[M+Na-2H]- 158.095116 133.1
[M]+ 137.11990142 115.3
[M]- 137.12099858 115.3
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

No patent data available for this compound.