CID 218952
M.g. 6351
Structural Information
- Molecular Formula
- C16H19NO2
- SMILES
- C#CCC1(CCC(CC1)C2=CC=CC=C2)NC(=O)O
- InChI
- InChI=1S/C16H19NO2/c1-2-10-16(17-15(18)19)11-8-14(9-12-16)13-6-4-3-5-7-13/h1,3-7,14,17H,8-12H2,(H,18,19)
- InChIKey
- KCRXXFUQNUJCIZ-UHFFFAOYSA-N
- Compound name
- (4-phenyl-1-prop-2-ynylcyclohexyl)carbamic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 258.14885 | 162.8 |
[M+Na]+ | 280.13079 | 173.0 |
[M+NH4]+ | 275.17539 | 168.1 |
[M+K]+ | 296.10473 | 161.7 |
[M-H]- | 256.13429 | 158.0 |
[M+Na-2H]- | 278.11624 | 166.9 |
[M]+ | 257.14102 | 162.0 |
[M]- | 257.14212 | 162.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.