CID 121207024

2098115-32-1

Structural Information

Molecular Formula
C9H15N
SMILES
C#CC1CCC(CC1)CN
InChI
InChI=1S/C9H15N/c1-2-8-3-5-9(7-10)6-4-8/h1,8-9H,3-7,10H2
InChIKey
NRGJUOSDPZRBDA-UHFFFAOYSA-N
Compound name
(4-ethynylcyclohexyl)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]+ 138.12773 131.1
[M+Na]+ 160.10967 138.7
[M-H]- 136.11317 132.5
[M+NH4]+ 155.15427 150.1
[M+K]+ 176.08361 135.0
[M+H-H2O]+ 120.11771 120.1
[M+HCOO]- 182.11865 146.5
[M+CH3COO]- 196.13430 184.7
[M+Na-2H]- 158.09512 134.5
[M]+ 137.11990 120.2
[M]- 137.12100 120.2
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.