CID 56597779
Thymyl formate
Structural Information
- Molecular Formula
- C11H14O2
- SMILES
- CC1=CC(=C(C=C1)C(C)C)OC=O
- InChI
- InChI=1S/C11H14O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h4-8H,1-3H3
- InChIKey
- IWAIRWGSZFYSES-UHFFFAOYSA-N
- Compound name
- (5-methyl-2-propan-2-ylphenyl) formate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 179.10666 | 136.7 |
[M+Na]+ | 201.08860 | 145.2 |
[M-H]- | 177.09210 | 140.9 |
[M+NH4]+ | 196.13320 | 157.4 |
[M+K]+ | 217.06254 | 143.9 |
[M+H-H2O]+ | 161.09664 | 131.3 |
[M+HCOO]- | 223.09758 | 160.4 |
[M+CH3COO]- | 237.11323 | 183.7 |
[M+Na-2H]- | 199.07405 | 141.4 |
[M]+ | 178.09883 | 139.8 |
[M]- | 178.09993 | 139.8 |