CID 14502
Methylenecyclohexane
Structural Information
- Molecular Formula
- C7H12
- SMILES
- C=C1CCCCC1
- InChI
- InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2
- InChIKey
- YULMNMJFAZWLLN-UHFFFAOYSA-N
- Compound name
- methylidenecyclohexane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 97.101176 | 118.9 |
[M+Na]+ | 119.08312 | 124.3 |
[M-H]- | 95.086624 | 121.9 |
[M+NH4]+ | 114.12772 | 142.1 |
[M+K]+ | 135.05706 | 123.3 |
[M+H-H2O]+ | 79.091160 | 114.1 |
[M+HCOO]- | 141.09210 | 140.0 |
[M+CH3COO]- | 155.10775 | 165.6 |
[M+Na-2H]- | 117.06857 | 125.4 |
[M]+ | 96.093351 | 113.1 |
[M]- | 96.094449 | 113.1 |