CID 1622575
3245-63-4
Structural Information
- Molecular Formula
- C13H19BrO
- SMILES
- CC(C)(C)C1=CC=C(C=C1)OCCCBr
- InChI
- InChI=1S/C13H19BrO/c1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14/h5-8H,4,9-10H2,1-3H3
- InChIKey
- ICMBGLLJDBJDQT-UHFFFAOYSA-N
- Compound name
- 1-(3-bromopropoxy)-4-tert-butylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 271.06920 | 157.4 |
[M+Na]+ | 293.05114 | 167.8 |
[M-H]- | 269.05464 | 163.5 |
[M+NH4]+ | 288.09574 | 178.0 |
[M+K]+ | 309.02508 | 156.8 |
[M+H-H2O]+ | 253.05918 | 157.6 |
[M+HCOO]- | 315.06012 | 176.9 |
[M+CH3COO]- | 329.07577 | 195.9 |
[M+Na-2H]- | 291.03659 | 164.2 |
[M]+ | 270.06137 | 178.5 |
[M]- | 270.06247 | 178.5 |
Literature stripe
No literature data available for this compound.