CID 65573985

1-cyclohexylprop-2-yn-1-amine

Structural Information

Molecular Formula
C9H15N
SMILES
C#CC(C1CCCCC1)N
InChI
InChI=1S/C9H15N/c1-2-9(10)8-6-4-3-5-7-8/h1,8-9H,3-7,10H2
InChIKey
XIEIQEFDSYPLQZ-UHFFFAOYSA-N
Compound name
1-cyclohexylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

137.12045 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 133.0
[M+Na]+ 160.109668 139.5
[M-H]- 136.113174 134.0
[M+NH4]+ 155.154273 151.6
[M+K]+ 176.083608 136.0
[M+H-H2O]+ 120.117710 121.7
[M+HCOO]- 182.118651 147.4
[M+CH3COO]- 196.134301 184.5
[M+Na-2H]- 158.095116 135.6
[M]+ 137.11990142 121.0
[M]- 137.12099858 121.0
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