CID 17937355

1-cyclopropyl-2-methoxyethan-1-ol

Structural Information

Molecular Formula
C6H12O2
SMILES
COCC(C1CC1)O
InChI
InChI=1S/C6H12O2/c1-8-4-6(7)5-2-3-5/h5-7H,2-4H2,1H3
InChIKey
PUMHQGRMQFQPOK-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-methoxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

116.08373 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 123.2
[M+Na]+ 139.072948 131.8
[M-H]- 115.076454 126.7
[M+NH4]+ 134.117553 140.4
[M+K]+ 155.046888 130.6
[M+H-H2O]+ 99.080990 117.9
[M+HCOO]- 161.081931 145.5
[M+CH3COO]- 175.097581 171.6
[M+Na-2H]- 137.058396 129.3
[M]+ 116.08318142 126.1
[M]- 116.08427858 126.1
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