CID 14906657

131515-31-6

Structural Information

Molecular Formula
C7H10O2
SMILES
C1C2CC1(C2)CC(=O)O
InChI
InChI=1S/C7H10O2/c8-6(9)4-7-1-5(2-7)3-7/h5H,1-4H2,(H,8,9)
InChIKey
ZXUMFNBFVORNQL-UHFFFAOYSA-N
Compound name
2-(1-bicyclo[1.1.1]pentanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

126.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 141.0
[M+Na]+ 149.05730 144.4
[M-H]- 125.06080 143.2
[M+NH4]+ 144.10190 146.7
[M+K]+ 165.03124 150.6
[M+H-H2O]+ 109.06534 127.7
[M+HCOO]- 171.06628 153.2
[M+CH3COO]- 185.08193 200.7
[M+Na-2H]- 147.04275 147.1
[M]+ 126.06753 164.9
[M]- 126.06863 164.9
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