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]+ 138.12773 133.0
[M+Na]+ 160.10967 139.5
[M-H]- 136.11317 134.0
[M+NH4]+ 155.15427 151.6
[M+K]+ 176.08361 136.0
[M+H-H2O]+ 120.11771 121.7
[M+HCOO]- 182.11865 147.4
[M+CH3COO]- 196.13430 184.5
[M+Na-2H]- 158.09512 135.6
[M]+ 137.11990 121.0
[M]- 137.12100 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