CID 10866761

Methyl 1-formylcyclohexane-1-carboxylate

Structural Information

Molecular Formula
C9H14O3
SMILES
COC(=O)C1(CCCCC1)C=O
InChI
InChI=1S/C9H14O3/c1-12-8(11)9(7-10)5-3-2-4-6-9/h7H,2-6H2,1H3
InChIKey
ZKTJOSITANDHAI-UHFFFAOYSA-N
Compound name
methyl 1-formylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

170.0943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 136.3
[M+Na]+ 193.083518 141.9
[M-H]- 169.087024 139.3
[M+NH4]+ 188.128123 158.3
[M+K]+ 209.057458 141.8
[M+H-H2O]+ 153.091560 131.6
[M+HCOO]- 215.092501 156.6
[M+CH3COO]- 229.108151 176.5
[M+Na-2H]- 191.068966 141.6
[M]+ 170.09375142 134.5
[M]- 170.09484858 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe