CID 79425172

1385696-64-9

Structural Information

Molecular Formula
C10H16O3
SMILES
C1CC1CC2(CCOCC2)C(=O)O
InChI
InChI=1S/C10H16O3/c11-9(12)10(7-8-1-2-8)3-5-13-6-4-10/h8H,1-7H2,(H,11,12)
InChIKey
MEPSKPDZZIECFF-UHFFFAOYSA-N
Compound name
4-(cyclopropylmethyl)oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 140.5
[M+Na]+ 207.09916 146.8
[M-H]- 183.10266 146.7
[M+NH4]+ 202.14376 155.0
[M+K]+ 223.07310 147.0
[M+H-H2O]+ 167.10720 135.0
[M+HCOO]- 229.10814 157.8
[M+CH3COO]- 243.12379 180.5
[M+Na-2H]- 205.08461 146.1
[M]+ 184.10939 140.1
[M]- 184.11049 140.1
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

No patent data available for this compound.