CID 93162
4-pentylaniline
Structural Information
- Molecular Formula
- C11H17N
- SMILES
- CCCCCC1=CC=C(C=C1)N
- InChI
- InChI=1S/C11H17N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5,12H2,1H3
- InChIKey
- DGFTWBUZRHAHTH-UHFFFAOYSA-N
- Compound name
- 4-pentylaniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 164.14338 | 137.2 |
[M+Na]+ | 186.12532 | 143.9 |
[M-H]- | 162.12882 | 140.2 |
[M+NH4]+ | 181.16992 | 157.8 |
[M+K]+ | 202.09926 | 141.1 |
[M+H-H2O]+ | 146.13336 | 131.3 |
[M+HCOO]- | 208.13430 | 161.6 |
[M+CH3COO]- | 222.14995 | 182.7 |
[M+Na-2H]- | 184.11077 | 143.0 |
[M]+ | 163.13555 | 136.5 |
[M]- | 163.13665 | 136.5 |