CID 102490
1,4-benzenediamine, n-(1-methylpropyl)-n'-phenyl-
Structural Information
- Molecular Formula
- C16H20N2
- SMILES
- CCC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
- InChI
- InChI=1S/C16H20N2/c1-3-13(2)17-15-9-11-16(12-10-15)18-14-7-5-4-6-8-14/h4-13,17-18H,3H2,1-2H3
- InChIKey
- LIAVGCGPNJLGQT-UHFFFAOYSA-N
- Compound name
- 4-N-butan-2-yl-1-N-phenylbenzene-1,4-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 241.16992 | 156.6 |
[M+Na]+ | 263.15186 | 161.3 |
[M-H]- | 239.15536 | 162.8 |
[M+NH4]+ | 258.19646 | 173.3 |
[M+K]+ | 279.12580 | 157.3 |
[M+H-H2O]+ | 223.15990 | 148.5 |
[M+HCOO]- | 285.16084 | 181.4 |
[M+CH3COO]- | 299.17649 | 199.8 |
[M+Na-2H]- | 261.13731 | 162.5 |
[M]+ | 240.16209 | 154.8 |
[M]- | 240.16319 | 154.8 |