CID 478545
N-(alpha-allylbenzyl)aniline
Structural Information
- Molecular Formula
- C16H17N
- SMILES
- C=CCC(C1=CC=CC=C1)NC2=CC=CC=C2
- InChI
- InChI=1S/C16H17N/c1-2-9-16(14-10-5-3-6-11-14)17-15-12-7-4-8-13-15/h2-8,10-13,16-17H,1,9H2
- InChIKey
- ANACTCJTOPAQMB-UHFFFAOYSA-N
- Compound name
- N-(1-phenylbut-3-enyl)aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 224.14338 | 151.9 |
[M+Na]+ | 246.12532 | 156.9 |
[M-H]- | 222.12882 | 157.9 |
[M+NH4]+ | 241.16992 | 169.3 |
[M+K]+ | 262.09926 | 152.2 |
[M+H-H2O]+ | 206.13336 | 144.2 |
[M+HCOO]- | 268.13430 | 175.9 |
[M+CH3COO]- | 282.14995 | 193.0 |
[M+Na-2H]- | 244.11077 | 158.2 |
[M]+ | 223.13555 | 149.7 |
[M]- | 223.13665 | 149.7 |