CID 131606699

1-ethynyl-4-methylcyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H15N
SMILES
CC1CCC(CC1)(C#C)N
InChI
InChI=1S/C9H15N/c1-3-9(10)6-4-8(2)5-7-9/h1,8H,4-7,10H2,2H3
InChIKey
PPPPEFKTOBTWDS-UHFFFAOYSA-N
Compound name
1-ethynyl-4-methylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.12045 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 131.7
[M+Na]+ 160.109668 140.4
[M-H]- 136.113174 133.6
[M+NH4]+ 155.154273 152.6
[M+K]+ 176.083608 136.2
[M+H-H2O]+ 120.117710 121.5
[M+HCOO]- 182.118651 147.1
[M+CH3COO]- 196.134301 184.3
[M+Na-2H]- 158.095116 136.0
[M]+ 137.11990142 121.1
[M]- 137.12099858 121.1
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.