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]+ 138.12773 131.7
[M+Na]+ 160.10967 140.4
[M-H]- 136.11317 133.6
[M+NH4]+ 155.15427 152.6
[M+K]+ 176.08361 136.2
[M+H-H2O]+ 120.11771 121.5
[M+HCOO]- 182.11865 147.1
[M+CH3COO]- 196.13430 184.3
[M+Na-2H]- 158.09512 136.0
[M]+ 137.11990 121.1
[M]- 137.12100 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.