CID 138190

4-methylpent-3-en-2-ol

Structural Information

Molecular Formula
C6H12O
SMILES
CC(C=C(C)C)O
InChI
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h4,6-7H,1-3H3
InChIKey
SAOXPNBHKSWHGW-UHFFFAOYSA-N
Compound name
4-methylpent-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

609
Patents

100.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 121.7
[M+Na]+ 123.07803 128.5
[M-H]- 99.081534 120.9
[M+NH4]+ 118.12263 144.5
[M+K]+ 139.05197 128.2
[M+H-H2O]+ 83.086070 117.9
[M+HCOO]- 145.08701 142.5
[M+CH3COO]- 159.10266 166.6
[M+Na-2H]- 121.06348 125.8
[M]+ 100.08826 120.4
[M]- 100.08936 120.4
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