CID 87511349

1-ethynyl-n,n-dimethylcyclohexan-1-amine

Structural Information

Molecular Formula
C10H17N
SMILES
CN(C)C1(CCCCC1)C#C
InChI
InChI=1S/C10H17N/c1-4-10(11(2)3)8-6-5-7-9-10/h1H,5-9H2,2-3H3
InChIKey
LXRBKIADSMSQLH-UHFFFAOYSA-N
Compound name
1-ethynyl-N,N-dimethylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

151.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.14338 134.8
[M+Na]+ 174.12532 142.4
[M-H]- 150.12882 137.9
[M+NH4]+ 169.16992 155.7
[M+K]+ 190.09926 139.4
[M+H-H2O]+ 134.13336 123.9
[M+HCOO]- 196.13430 150.9
[M+CH3COO]- 210.14995 189.9
[M+Na-2H]- 172.11077 139.5
[M]+ 151.13555 126.2
[M]- 151.13665 126.2
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

patents stripe