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

14
Patents

151.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.143376 134.8
[M+Na]+ 174.125318 142.4
[M-H]- 150.128824 137.9
[M+NH4]+ 169.169923 155.7
[M+K]+ 190.099258 139.4
[M+H-H2O]+ 134.133360 123.9
[M+HCOO]- 196.134301 150.9
[M+CH3COO]- 210.149951 189.9
[M+Na-2H]- 172.110766 139.5
[M]+ 151.13555142 126.2
[M]- 151.13664858 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