CID 66911
1,4-dibutoxybenzene
Structural Information
- Molecular Formula
- C14H22O2
- SMILES
- CCCCOC1=CC=C(C=C1)OCCCC
- InChI
- InChI=1S/C14H22O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
- InChIKey
- ZROGCHDPRZRKTI-UHFFFAOYSA-N
- Compound name
- 1,4-dibutoxybenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 223.16927 | 153.1 |
[M+Na]+ | 245.15121 | 159.3 |
[M-H]- | 221.15471 | 156.1 |
[M+NH4]+ | 240.19581 | 171.7 |
[M+K]+ | 261.12515 | 157.2 |
[M+H-H2O]+ | 205.15925 | 146.4 |
[M+HCOO]- | 267.16019 | 176.5 |
[M+CH3COO]- | 281.17584 | 191.6 |
[M+Na-2H]- | 243.13666 | 157.9 |
[M]+ | 222.16144 | 158.1 |
[M]- | 222.16254 | 158.1 |