CID 93238
Cis-cccnu
Structural Information
- Molecular Formula
- C10H16ClN3O4
- SMILES
- C1CC(CCC1C(=O)O)NC(=O)N(CCCl)N=O
- InChI
- InChI=1S/C10H16ClN3O4/c11-5-6-14(13-18)10(17)12-8-3-1-7(2-4-8)9(15)16/h7-8H,1-6H2,(H,12,17)(H,15,16)
- InChIKey
- VGKZBAMIYUHSMU-UHFFFAOYSA-N
- Compound name
- 4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 278.09023 | 159.4 |
[M+Na]+ | 300.07217 | 162.8 |
[M-H]- | 276.07567 | 163.4 |
[M+NH4]+ | 295.11677 | 175.5 |
[M+K]+ | 316.04611 | 162.1 |
[M+H-H2O]+ | 260.08021 | 153.2 |
[M+HCOO]- | 322.08115 | 177.9 |
[M+CH3COO]- | 336.09680 | 205.1 |
[M+Na-2H]- | 298.05762 | 161.0 |
[M]+ | 277.08240 | 159.2 |
[M]- | 277.08350 | 159.2 |