CID 15091

Cycloheptanecarboxylic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CCCC(CC1)C(=O)O
InChI
InChI=1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)
InChIKey
VZFUCHSFHOYXIS-UHFFFAOYSA-N
Compound name
cycloheptanecarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20732
Patents

142.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 125.2
[M+Na]+ 165.08860 127.5
[M-H]- 141.09210 127.7
[M+NH4]+ 160.13320 144.1
[M+K]+ 181.06254 131.0
[M+H-H2O]+ 125.09664 120.9
[M+HCOO]- 187.09758 143.2
[M+CH3COO]- 201.11323 173.2
[M+Na-2H]- 163.07405 129.2
[M]+ 142.09883 117.2
[M]- 142.09993 117.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe