CID 99158
1,4-bis(cyclohexylamino)-2-butyne
Structural Information
- Molecular Formula
- C16H28N2
- SMILES
- C1CCC(CC1)NCC#CCNC2CCCCC2
- InChI
- InChI=1S/C16H28N2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h15-18H,1-6,9-14H2
- InChIKey
- JQWHLLPKEHHOJP-UHFFFAOYSA-N
- Compound name
- N,N'-dicyclohexylbut-2-yne-1,4-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 249.23253 | 161.0 |
[M+Na]+ | 271.21447 | 163.2 |
[M-H]- | 247.21797 | 163.0 |
[M+NH4]+ | 266.25907 | 174.9 |
[M+K]+ | 287.18841 | 156.7 |
[M+H-H2O]+ | 231.22251 | 147.4 |
[M+HCOO]- | 293.22345 | 173.0 |
[M+CH3COO]- | 307.23910 | 203.5 |
[M+Na-2H]- | 269.19992 | 162.2 |
[M]+ | 248.22470 | 145.8 |
[M]- | 248.22580 | 145.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.