CID 29941748

(1-hydroxymethylcyclopropyl)acetic acid methyl ester

Structural Information

Molecular Formula
C7H12O3
SMILES
COC(=O)CC1(CC1)CO
InChI
InChI=1S/C7H12O3/c1-10-6(9)4-7(5-8)2-3-7/h8H,2-5H2,1H3
InChIKey
RCEKMFFZANHPNW-UHFFFAOYSA-N
Compound name
methyl 2-[1-(hydroxymethyl)cyclopropyl]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

144.07864 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 130.9
[M+Na]+ 167.067858 140.1
[M-H]- 143.071364 134.6
[M+NH4]+ 162.112463 148.9
[M+K]+ 183.041798 139.3
[M+H-H2O]+ 127.075900 126.8
[M+HCOO]- 189.076841 152.8
[M+CH3COO]- 203.092491 174.5
[M+Na-2H]- 165.053306 137.5
[M]+ 144.07809142 135.3
[M]- 144.07918858 135.3
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