CID 138655

(2-methylcyclopropyl)methanol

Structural Information

Molecular Formula
C5H10O
SMILES
CC1CC1CO
InChI
InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3
InChIKey
SHEINYPABNPRPM-UHFFFAOYSA-N
Compound name
(2-methylcyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

499
Patents

86.073166 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.080442 114.8
[M+Na]+ 109.06238 124.9
[M-H]- 85.065890 118.8
[M+NH4]+ 104.10699 133.6
[M+K]+ 125.03632 123.3
[M+H-H2O]+ 69.070426 110.0
[M+HCOO]- 131.07137 138.1
[M+CH3COO]- 145.08702 167.1
[M+Na-2H]- 107.04783 122.1
[M]+ 86.072617 116.9
[M]- 86.073715 116.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe