CID 117531902
1904262-13-0
Structural Information
- Molecular Formula
- C14H21BrN2O2
- SMILES
- CC(C)(C)OC(=O)NCCC(C1=CC(=CC=C1)Br)N
- InChI
- InChI=1S/C14H21BrN2O2/c1-14(2,3)19-13(18)17-8-7-12(16)10-5-4-6-11(15)9-10/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,18)
- InChIKey
- HLDFLRXNWNQDQK-UHFFFAOYSA-N
- Compound name
- tert-butyl N-[3-amino-3-(3-bromophenyl)propyl]carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 329.08592 | 172.3 |
[M+Na]+ | 351.06786 | 179.7 |
[M-H]- | 327.07136 | 177.2 |
[M+NH4]+ | 346.11246 | 189.1 |
[M+K]+ | 367.04180 | 168.4 |
[M+H-H2O]+ | 311.07590 | 170.2 |
[M+HCOO]- | 373.07684 | 190.8 |
[M+CH3COO]- | 387.09249 | 208.7 |
[M+Na-2H]- | 349.05331 | 175.5 |
[M]+ | 328.07809 | 190.1 |
[M]- | 328.07919 | 190.1 |
Literature stripe
No literature data available for this compound.