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
1
Annotation Hits

0
References

57
Patents

144.07864 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 130.9
[M+Na]+ 167.06786 140.1
[M-H]- 143.07136 134.6
[M+NH4]+ 162.11246 148.9
[M+K]+ 183.04180 139.3
[M+H-H2O]+ 127.07590 126.8
[M+HCOO]- 189.07684 152.8
[M+CH3COO]- 203.09249 174.5
[M+Na-2H]- 165.05331 137.5
[M]+ 144.07809 135.3
[M]- 144.07919 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