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]+ 171.10158 136.3
[M+Na]+ 193.08352 141.9
[M-H]- 169.08702 139.3
[M+NH4]+ 188.12812 158.3
[M+K]+ 209.05746 141.8
[M+H-H2O]+ 153.09156 131.6
[M+HCOO]- 215.09250 156.6
[M+CH3COO]- 229.10815 176.5
[M+Na-2H]- 191.06897 141.6
[M]+ 170.09375 134.5
[M]- 170.09485 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