CID 13693091

(1-methylcyclopent-2-en-1-yl)methanol

Structural Information

Molecular Formula
C7H12O
SMILES
CC1(CCC=C1)CO
InChI
InChI=1S/C7H12O/c1-7(6-8)4-2-3-5-7/h2,4,8H,3,5-6H2,1H3
InChIKey
NHUJFFJPKSJOLB-UHFFFAOYSA-N
Compound name
(1-methylcyclopent-2-en-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 122.6
[M+Na]+ 135.078028 130.3
[M-H]- 111.081534 125.1
[M+NH4]+ 130.122633 148.5
[M+K]+ 151.051968 129.1
[M+H-H2O]+ 95.086070 118.8
[M+HCOO]- 157.087011 145.9
[M+CH3COO]- 171.102661 164.7
[M+Na-2H]- 133.063476 129.3
[M]+ 112.08826142 120.9
[M]- 112.08935858 120.9
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