CID 165656020

2-[3-(bromomethyl)oxolan-3-yl]aceticacid

Structural Information

Molecular Formula
C7H11BrO3
SMILES
C1COCC1(CC(=O)O)CBr
InChI
InChI=1S/C7H11BrO3/c8-4-7(3-6(9)10)1-2-11-5-7/h1-5H2,(H,9,10)
InChIKey
OXEAVIRTQDGGHX-UHFFFAOYSA-N
Compound name
2-[3-(bromomethyl)oxolan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.98917 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99645 142.5
[M+Na]+ 244.97839 152.4
[M-H]- 220.98189 147.7
[M+NH4]+ 240.02299 165.7
[M+K]+ 260.95233 143.7
[M+H-H2O]+ 204.98643 144.2
[M+HCOO]- 266.98737 160.6
[M+CH3COO]- 281.00302 179.8
[M+Na-2H]- 242.96384 148.9
[M]+ 221.98862 160.2
[M]- 221.98972 160.2
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.